Basic information
- Standard SMILES
CC(N=C1CCCCCN1)c1ccc(C2CCCCC2)cc1.Cl- InChIKey
KCXYXTIRNKXOCH-UHFFFAOYSA-N- Molecular formula
- C20H31ClN2
- Average molar mass
- 334.9 g/mol
- Monoisotopic mass
- 334.2175767
Names & identifiers
- Preferred name
- 2-(rho-Cyclohexyl-alpha-methylbenzylimino)hexahydroazepine hydrochloride
- IUPAC
- N-[1-(4-cyclohexylphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
Names & synonyms
CHEMBL3276212SCHEMBL11741068SCHEMBL11741072KCXYXTIRNKXOCH-UHFFFAOYSA-N2-(p-cyclohexyl-alpha-methylbenzylimino)-hexahydroazepine hydrochloride2-(rho-cyclohexyl-alpha-methylbenzylimino)hexahydroazepine hydrochloride
Database identifiers
- PubChem CID
- 13012137
Properties
Computed structural properties
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 349
Related reactions
2 records
Compound notes
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