14-Methyl-12,13-diazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
Basic information
- CAS
51834-33-4- Standard SMILES
Cc1nnc2cc1CCCCCCCCC2- InChIKey
IZJKBQRPHRHPDV-UHFFFAOYSA-N- Molecular formula
- C14H22N2
- Average molar mass
- 218.34 g/mol
- Monoisotopic mass
- 218.17829871
Names & identifiers
- Preferred name
- 14-Methyl-12,13-diazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
- IUPAC
- 14-methyl-12,13-diazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
Names & synonyms
51834-33-4NSC35818014-methyl-12,13-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trieneDTXSID20320338NSC-358180
Database identifiers
- CAS
51834-33-4- PubChem CID
- 337936
- DTXSID
DTXSID20320338
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 193
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Compound notes
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