2H-Azepine, 3,4,5,6-tetrahydro-7-propyl-
Basic information
- CAS
3338-05-4- Standard SMILES
CCCC1=NCCCCC1- InChIKey
DISBXVDIRAPUER-UHFFFAOYSA-N- Molecular formula
- C9H17N
- Average molar mass
- 139.24 g/mol
- Monoisotopic mass
- 139.13609955
Names & identifiers
- Preferred name
- 2H-Azepine, 3,4,5,6-tetrahydro-7-propyl-
- IUPAC
- 7-propyl-3,4,5,6-tetrahydro-2H-azepine
Names & synonyms
2H-Azepine, 3,4,5,6-tetrahydro-7-propyl-3338-05-43,4,5,6-Tetrahydro-7-propyl-2H-azepineDTXSID90187011RefChem:268443DTXCID001095027-Propyl-3,4,5,6-tetrahydro-2H-azepine7-Propyl-3,4,5,6(2H)-tetrahydroazepineDISBXVDIRAPUER-UHFFFAOYSA-N7-Propyl-3,4,5,6-tetrahydro-2H-azepine #
Database identifiers
- CAS
3338-05-4- PubChem CID
- 574040
- DTXSID
DTXSID90187011
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
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Related reactions
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Compound notes
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