N-(1-Phenylethyl)azepan-1-amine
Basic information
- CAS
87498-57-5- Standard SMILES
CC(NN1CCCCCC1)c1ccccc1- InChIKey
WBYATNMMJDFGFO-UHFFFAOYSA-N- Molecular formula
- C14H22N2
- Average molar mass
- 218.34 g/mol
- Monoisotopic mass
- 218.17829871
Names & identifiers
- Preferred name
- N-(1-Phenylethyl)azepan-1-amine
- IUPAC
- N-(1-phenylethyl)azepan-1-amine
Names & synonyms
N-(1-phenylethyl)azepan-1-amine87498-57-5DTXSID601007594RefChem:1090823DTXCID001434446Hexahydro-N-(1-phenylethyl)-1H-azepin-1-amine1H-AZEPIN-1-AMINE, HEXAHYDRO-N-(1-PHENYLETHYL)-
Database identifiers
- CAS
87498-57-5- PubChem CID
- 55719
- DTXSID
DTXSID601007594
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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