Basic information
- Standard SMILES
N#Cc1ccccc1NCC12CCCN1CCC2- InChIKey
XZMQUGAUYLWRPG-UHFFFAOYSA-N- Molecular formula
- C15H19N3
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.15789762
Names & identifiers
- Preferred name
- 2-[(1-Azabicyclo[3.3.0]octan-5-yl)methylamino]benzonitrile
- IUPAC
- 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethylamino)benzonitrile
Names & synonyms
SCHEMBL8967608XZMQUGAUYLWRPG-UHFFFAOYSA-N2-[(1-Azabicyclo[3.3.0]octan-5-yl)methylamino]benzonitrile
Database identifiers
- PubChem CID
- 10490308
- Nikkaji
- J1.043.734B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
Loading…