7-Butyl-3,4,5,6-tetrahydro-2H-azepine
Basic information
- CAS
3338-06-5- Standard SMILES
CCCCC1=NCCCCC1- InChIKey
CABSIVOEACYHJV-UHFFFAOYSA-N- Molecular formula
- C10H19N
- Average molar mass
- 153.26 g/mol
- Monoisotopic mass
- 153.15174961
Names & identifiers
- Preferred name
- 7-Butyl-3,4,5,6-tetrahydro-2H-azepine
- IUPAC
- 7-butyl-3,4,5,6-tetrahydro-2H-azepine
Names & synonyms
7-Butyl-3,4,5,6-tetrahydro-2H-azepine3338-06-5DTXSID50341571RefChem:310501DTXCID702926527-Butyl-3,4,5,6(2H)-tetrahydroazepineSCHEMBL8015557CABSIVOEACYHJV-UHFFFAOYSA-N7-Butyl-3,4,5,6-tetrahydro-2H-azepine #
Database identifiers
- CAS
3338-06-5- PubChem CID
- 574077
- DTXSID
DTXSID50341571
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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