Basic information
- Standard SMILES
N#Cc1ccc(NCCCN2CC3CNCC(C2)O3)cc1- InChIKey
BJOJWJJCPIYNLS-UHFFFAOYSA-N- Molecular formula
- C16H22N4O
- Average molar mass
- 286.37 g/mol
Names & identifiers
- Preferred name
- 4-{[3-(9-Oxa-3,7-diazabicyclo[3.3.1]non-3-yl)propyl]amino}benzonitrile
- IUPAC
- 4-[3-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propylamino]benzonitrile
Names & synonyms
SCHEMBL2958790BJOJWJJCPIYNLS-UHFFFAOYSA-N4-{[3-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)propyl]amino}-benzonitrile4-{[3-(9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)propyl]amino}benzonitrile
Database identifiers
- PubChem CID
- 18540385
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Related reactions
6 records
Compound notes
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