Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2640
- Core Entity Id
- 6122
- Source Entity Count
- 1
- Preferred Name
- (2r)-butan-2-amine
- Name En
- Pubchem Id
- 2724537
- Smiles Canonical
- CCC(C)N
- Molecular Formula
- C4H11N
- Molecular Weight
- 73.1390
- Inchikey
- BHRZNVHARXXAHW-SCSAIBSYSA-N
- Inchi
- InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m1/s1
- Isomeric Smiles
- CC[C@@H](C)N
- Cas Id
- 13952-84-6
- Ob Score
- 59.0799
- Mol Logp
- 0.7436
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R)-Butan-2-Amine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2R)-Butan-2-Amine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R)-butan-2-amine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2R)-butan-2-amine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2r)-butan-2-amine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r)-butan-2-amine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(R)-(-)-2-Aminobutane
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-(-)-2-Aminobutane
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-(-)-sec-Butylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-(−)-2-Aminobutane
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-(−)-sec-Butylamine
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-2-Butanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-2-Butanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-butan-2-amine
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-butan-2-amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-sec-Butylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
13250-12-9
Role
alias
Source
HERB_v2
Preferred
No
Name
13250-12-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Butanamine, (2R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Butanamine, (2R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Butanamine, (2R)- (9CI)
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Butanamine, (2R)- (9CI)
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Butanamine, (R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Butanamine, (R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
296643_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(R)-(-)-2-Aminobutane(R)-(-)-sec-Butylamine(R)-(−)-2-Aminobutane(R)-(−)-sec-Butylamine(R)-2-Butanamine(R)-butan-2-amine(R)-sec-Butylamine13250-12-92-Butanamine, (2R)-2-Butanamine, (2R)- (9CI)2-Butanamine, (R)-296643_ALDRICH
Cross References
Trusted external identifiers retained for this final record.
Cas
13952-84-6
Herb
HBIN006539
Tcmsp
MOL004468
Sym Map
SMIT06388
Pub Chem
2724537
Tcmbank
TCMBANKIN024553
Etcm Ingredient
(2R)-butan-2-amine
Itcmdb Generated
ITX-INGREDIENT-A19A1899FE3D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m1/s1
Mol Wt
73.13900000000001
Cas Id
13952-84-6
Smiles
CCC(C)N
Mol Log P
0.7436
Version
v1,v2
In Ch Ikey
BHRZNVHARXXAHW-SCSAIBSYSA-N
Ob Score
59.079933859.07993459.08
Suppress
0
Num Hdonors
1
Drug Likeness
0.487
Num Hacceptors
1
Isomeric Smiles
CC[C@@H](C)N
Molecule Weight
73.16
Canonical Smiles
CCC(C)N
Herb Alias Names
13250-12-9(R)-(-)-2-Aminobutane(R)-(-)-sec-Butylamine(R)-butan-2-amine2-Butanamine, (R)-2-Butanamine, (2R)-(R)-2-Butanamine(R)-sec-Butylamine2-Butanamine, (2R)- (9CI)
Molecular Weight
73.090
Molecular Weight
73.14
Molecular Formula
C4H11N
Molecular Formula
C4H11N
Molecular Formula
C4H11N
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.137
Quantitative Estimate Of Drug Likeness（Qed）
0.487