Basic information
- Standard SMILES
CN(CCCNc1ccc(C#N)cc1)C1C2CCC1CNC2- InChIKey
YXHPEFJEFIXJOP-UHFFFAOYSA-N- Molecular formula
- C18H26N4
- Average molar mass
- 298.4 g/mol
Names & identifiers
- Preferred name
- 4-({3-[3-Azabicyclo[3.2.1]oct-8-yl(methyl)amino]propyl}amino)benzonitrile
- IUPAC
- 4-[3-[3-azabicyclo[3.2.1]octan-8-yl(methyl)amino]propylamino]benzonitrile
Names & synonyms
SCHEMBL7248955YXHPEFJEFIXJOP-UHFFFAOYSA-N4-({3-[3-azabicyclo[3.2.1]oct-8-yl(methyl)amino]propyl}amino)benzonitrile4-({3-[3-azabicyclo[3.2.1]oct-8-yl(methyl)amino]propyl}-amino)benzonitrile4-({3-[3-azabicyclo[3.2.1]oct-8-yl(methyl)amino]propyl}amino)-benzonitrile
Database identifiers
- PubChem CID
- 18540907
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
1 records
Compound notes
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