1H-Azepine, hexahydro-1-(pyridinyl)-
Basic information
- CAS
65222-00-6- Standard SMILES
c1ccc(N2CCCCCC2)nc1- InChIKey
WMUXUPJEKFKIAV-UHFFFAOYSA-N- Molecular formula
- C11H16N2
- Average molar mass
- 176.26 g/mol
- Monoisotopic mass
- 176.13134852
Names & identifiers
- Preferred name
- 1H-Azepine, hexahydro-1-(pyridinyl)-
- IUPAC
- 1-pyridin-2-ylazepane
Names & synonyms
1H-Azepine, hexahydro-1-(pyridinyl)-65222-00-6DTXSID90357858RefChem:237363DTXCID203089141-pyridin-2-ylazepane1-(pyridin-2-yl)azepane380500-12-9Cambridge id 5774851SCHEMBL3154137HS-6629
Database identifiers
- CAS
65222-00-6- PubChem CID
- 869898
- DTXSID
DTXSID90357858- Nikkaji
- J1.644.921K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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