Basic information
- CAS
52736-62-6- Standard SMILES
CC1CCCCC1C(=O)N1CCCCCC1- InChIKey
CJLSOGGQZIXSMO-UHFFFAOYSA-N- Molecular formula
- C14H25NO
- Average molar mass
- 223.35 g/mol
- Monoisotopic mass
- 223.19361442
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- AI 3-35770
- IUPAC
- azepan-1-yl-(2-methylcyclohexyl)methanone
Names & synonyms
52736-62-6AI3-35770Hexahydro-1-((2-methylcyclohexyl)carbonyl)-1H-azepineAI 3-35770RefChem:110278AI-3-35770ENT 35770NSC 1950381H-Azepine, hexahydro-1-((2-methylcyclohexyl)carbonyl)-DTXSID20967186NSC195038NSC-195038
Show more names
(Azepan-1-yl)(2-methylcyclohexyl)methanone
Database identifiers
- CAS
52736-62-6- PubChem CID
- 99732
- DTXSID
DTXSID20967186
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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