Basic information
- CAS
3338-03-2- Standard SMILES
CC1=NCCCCC1- InChIKey
JRAPIKAFUUWTMV-UHFFFAOYSA-N- Molecular formula
- C7H13N
- Average molar mass
- 111.18 g/mol
- Monoisotopic mass
- 111.10479942
Names & identifiers
- Preferred name
- 2H-Azepine, 3,4,5,6-tetrahydro-7-methyl-
- IUPAC
- 7-methyl-3,4,5,6-tetrahydro-2H-azepine
Names & synonyms
3338-03-22H-Azepine, 3,4,5,6-tetrahydro-7-methyl-3,4,5,6-Tetrahydro-7-methyl-2H-azepineDTXSID20187009RefChem:268442DTXCID801095007-methyl-3,4,5,6-tetrahydro-2H-azepine2-methyl-4,5,6,7-tetrahydro-3H-azepineSCHEMBL10296536
Database identifiers
- CAS
3338-03-2- PubChem CID
- 10240784
- DTXSID
DTXSID20187009- Nikkaji
- J323.796F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 94.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…