Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20980
- Core Entity Id
- 26504
- Source Entity Count
- 1
- Preferred Name
- Hai
- Name En
- Pubchem Id
- 7965
- Smiles Canonical
- C1CCC(CC1)N
- Molecular Formula
- C6H13N
- Molecular Weight
- 99.1770
- Inchikey
- PAFZNILMFXTMIY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
- Isomeric Smiles
- C1CCC(CC1)N
- Cas Id
- 157973-60-9
- Ob Score
- 86.3416
- Mol Logp
- 1.2778
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hai
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
HAI
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
HAI
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hai
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hai
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hai
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-AMINO-CYCLOHEXANE
Role
alias
Source
TCMBank
Preferred
No
Name
1-Aminocyclohexane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Aminocyclohexane
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Cyclohexylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Cyclohexylamine
Role
alias
Source
TCMBank
Preferred
No
Name
1-Cyclohexylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
108-91-8
Role
alias
Source
HERB_v2
Preferred
No
Name
108-91-8
Role
alias
Source
TCMBank
Preferred
No
Name
108-91-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
143247-75-0
Role
alias
Source
TCMBank
Preferred
No
Name
157973-60-9
Role
alias
Source
TCMBank
Preferred
No
Name
240648_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
4-12-00-00008 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-15323
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-008396
Role
alias
Source
TCMBank
Preferred
No
Name
Aminocyclohexane
Role
alias
Source
TCMBank
Preferred
No
Name
Aminocyclohexane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aminocyclohexane
Role
alias
Source
HERB_v2
Preferred
No
Name
Aminohexahydrobenzene
Role
alias
Source
TCMBank
Preferred
No
Name
Aminohexahydrobenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aminohexahydrobenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
Aniline, hexahydro-
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0471175
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenamine, hexahydro-
Role
alias
Source
TCMBank
Preferred
No
Name
C00571
Role
alias
Source
TCMBank
Preferred
No
Name
C104655_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 3645
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:15773
Role
alias
Source
TCMBank
Preferred
No
Name
CYCLOHEXYLAMINE
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclohexanamine
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclohexanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclohexanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclohexyl amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclohexylamine
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclohexylamine [UN2357] [Corrosive]
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 203-629-0
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 918
Role
alias
Source
TCMBank
Preferred
No
Name
Hexahydroaniline
Role
alias
Source
TCMBank
Preferred
No
Name
Hexahydroaniline
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexahydroaniline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexahydrobenzenamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexahydrobenzenamine
Role
alias
Source
TCMBank
Preferred
No
Name
Hexahydrobenzenamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H
Role
alias
Source
TCMBank
Preferred
No
Name
LS-473
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_004907
Role
alias
Source
TCMBank
Preferred
No
Name
ST5213819
Role
alias
Source
TCMBank
Preferred
No
Name
UN2357
Role
alias
Source
TCMBank
Preferred
No
Name
c0690
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-AMINO-CYCLOHEXANE1-Aminocyclohexane1-Cyclohexylamine108-91-8143247-75-0157973-60-9240648_ALDRICH4-12-00-00008 (Beilstein Handbook Reference)AI3-15323AIDS-008396AminocyclohexaneAminohexahydrobenzeneAniline, hexahydro-BRN 0471175Benzenamine, hexahydro-C00571C104655_ALDRICHCCRIS 3645CHEBI:15773CYCLOHEXYLAMINECyclohexanamineCyclohexyl amineCyclohexylamine [UN2357] [Corrosive]EINECS 203-629-0HSDB 918HexahydroanilineHexahydrobenzenamineInChI=1/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7HLS-473NCI60_004907ST5213819UN2357c0690
Cross References
Trusted external identifiers retained for this final record.
Cas
157973-60-9
Herb
HBIN028740
Npass
NPC8576
Tcmsp
MOL012890
Sym Map
SMIT13615
Pub Chem
7965
Tcmbank
TCMBANKIN028077
Etcm Ingredient
HAI
Itcmdb Generated
ITX-INGREDIENT-149A7DCE4E04
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
Mol Wt
99.17700000000002
Cas Id
157973-60-9
Smiles
C1CCC(CC1)N
Mol Log P
1.2778
Version
v1,v2
In Ch Ikey
PAFZNILMFXTMIY-UHFFFAOYSA-N
Ob Score
86.3415816586.34158286.342
Suppress
0
Num Hdonors
1
Drug Likeness
0.486
Num Hacceptors
1
Isomeric Smiles
C1CCC(CC1)N
Molecule Weight
99.2
Canonical Smiles
C1CCC(CC1)N
Herb Alias Names
CYCLOHEXYLAMINECyclohexanamine108-91-8AminocyclohexaneHexahydroanilineHexahydrobenzenamineAminohexahydrobenzene1-CyclohexylamineCyclohexyl amine1-Aminocyclohexane
Molecular Weight
99.100
Molecular Weight
99.17
Molecular Formula
C6H13N
Molecular Formula
C6H13N
Molecular Formula
C6H13N
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.067
Quantitative Estimate Of Drug Likeness（Qed）
0.486