Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine
Basic information
- CAS
2808-81-3- Standard SMILES
c1ccc(C2(N3CCCCCC3)CCCCC2)cc1- InChIKey
VEDJSGPEAMLSIO-UHFFFAOYSA-N- Molecular formula
- C18H27N
- Average molar mass
- 257.4 g/mol
- Monoisotopic mass
- 257.21434987
Overview
cytochorome P450 antagonist
Names & identifiers
- Preferred name
- Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine
- IUPAC
- 1-(1-phenylcyclohexyl)azepane
- English name
- 1-(1-phenylcyclohexyl)hexamethyleneimine
- Molecular formula
- C18H27N
- Molecular weight
- 257.41
Names & synonyms
1-Pchhmi1-(1-Phenylcyclohexyl)hexamethyleneimine2808-81-31H-Azepine, hexahydro-1-(1-phenylcyclohexyl)-DTXSID80182358RefChem:922917DTXCID90104849Hexahydro-1-(1-phenylcyclohexyl)-1H-azepine1-(1-phenylcyclohexyl)azepane
Database identifiers
- CAS
2808-81-3- PubChem CID
- 193363
- DTXSID
DTXSID80182358- Nikkaji
- J562.934I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 253
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Related reactions
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Compound notes
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