Basic information
- Standard SMILES
CC(C)c1ccc2c(c1)C(N)=Nc1ccccc1N2- InChIKey
OFVHQQUPGAEOHV-UHFFFAOYSA-N- Molecular formula
- C16H17N3
- Average molar mass
- 251.33 g/mol
- Monoisotopic mass
- 251.14224756
Names & identifiers
- Preferred name
- 2-isopropyl-5H-dibenzo[b,e][1,4]diazepin-11-ylamine
- IUPAC
- 8-propan-2-yl-11H-benzo[b][1,4]benzodiazepin-6-amine
Names & synonyms
SCHEMBL4836715OFVHQQUPGAEOHV-UHFFFAOYSA-N2-isopropyl-5H-dibenzo[b,e][1,4]diazepin-11-ylamine
Database identifiers
- PubChem CID
- 21093485
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Related reactions
4 records
Compound notes
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