Basic information
- CAS
58324-97-3- Standard SMILES
CCCCN1CC2CC(C1)CN(Cc1ccccc1)C2- InChIKey
SKHHNQCBQCNOEG-UHFFFAOYSA-N- Molecular formula
- C18H28N2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.2252489
Names & identifiers
- Preferred name
- 3-Benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane
- IUPAC
- 3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane
Names & synonyms
3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonane58324-97-3CHEMBL3305373DTXSID80275512
Database identifiers
- CAS
58324-97-3- PubChem CID
- 47339
- DTXSID
DTXSID80275512- ChEMBL
CHEMBL3305373
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…