Basic information
- Standard SMILES
N#CCN1CC2CC1CN2Cc1ccccc1- InChIKey
RFPRWQSWSWCNBC-UHFFFAOYSA-N- Molecular formula
- C14H17N3
- Average molar mass
- 227.3 g/mol
Names & identifiers
- Preferred name
- 2-Benzyl-5-cyanomethyl-2,5-diazabicyclo[2.2.1]heptane
- IUPAC
- 2-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetonitrile
Names & synonyms
SCHEMBL5493951RFPRWQSWSWCNBC-UHFFFAOYSA-N2-Benzyl-5-cyanomethyl-2,5-diazabicyclo[2.2.1]heptane
Database identifiers
- PubChem CID
- 21963645
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 313
Related reactions
6 records
Compound notes
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