Basic information
- Standard SMILES
N[C@H]1CCCCN(Cc2ccccc2)C1- InChIKey
BFRCNVPFOVQZSH-ZDUSSCGKSA-N- Molecular formula
- C13H20N2
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.16264865
Names & identifiers
- Preferred name
- (3S)-1-Benzylazepan-3-amine
- IUPAC
- (3S)-1-benzylazepan-3-amine
Names & synonyms
(3S)-1-Benzylazepan-3-amine625471-23-0SCHEMBL3459933BFRCNVPFOVQZSH-ZDUSSCGKSA-N(3S)-1-(phenylmethyl)azepan-3-amine
Database identifiers
- PubChem CID
- 57463512
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Related reactions
1 records
Compound notes
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