Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34999
- Core Entity Id
- 42088
- Source Entity Count
- 1
- Preferred Name
- Tetramethyl diaminobutane
- Name En
- Pubchem Id
- 23202045
- Smiles Canonical
- CC(C(C)(C(C)(C)C)N)N
- Molecular Formula
- C8H20N2
- Molecular Weight
- 144.2620
- Inchikey
- QCRAHBZOAYRPGG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H20N2/c1-6(9)8(5,10)7(2,3)4/h6H,9-10H2,1-5H3
- Isomeric Smiles
- CC(C(C)(C(C)(C)C)N)N
- Cas Id
- Ob Score
- Mol Logp
- 1.0971
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tetramethyl diaminobutane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Tetramethyl diaminobutane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tetramethyl diaminobutane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
tetramethyl diaminobutane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
SCHEMBL5887685
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5887685
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL5887685
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046101
Tcmid
21179
Pub Chem
23202045
Tcmbank
TCMBANKIN025008
Etcm Ingredient
Tetramethyl diaminobutane
Itcmdb Generated
ITX-INGREDIENT-E116A23A5724
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H20N2/c1-6(9)8(5,10)7(2,3)4/h6H,9-10H2,1-5H3
Mol Wt
144.262
Smiles
CC(C(C)(C(C)(C)C)N)N
Mol Log P
1.0971
In Ch Ikey
QCRAHBZOAYRPGG-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.579
Num Hacceptors
2
Isomeric Smiles
CC(C(C)(C(C)(C)C)N)N
Canonical Smiles
CC(C(C)(C(C)(C)C)N)N
Herb Alias Names
SCHEMBL5887685
Molecular Weight
144.160
Molecular Weight
144.26 g/mol
Molecular Formula
C8H20N2
Molecular Formula
C8H20N2
Molecular Formula
C8H20N2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.071
Quantitative Estimate Of Drug Likeness（Qed）
0.529