Basic information
- Standard SMILES
N#Cc1ccc(-c2cncc3c2CCCC3N)cc1- InChIKey
KAIKMBLZNQPQSC-UHFFFAOYSA-N- Molecular formula
- C16H15N3
- Average molar mass
- 249.31 g/mol
Names & identifiers
- Preferred name
- 4-(8-Amino-5,6,7,8-tetrahydro-4-isoquinolinyl)benzonitrile
- IUPAC
- 4-(8-amino-5,6,7,8-tetrahydroisoquinolin-4-yl)benzonitrile
Names & synonyms
CHEMBL3623822SCHEMBL15311513KAIKMBLZNQPQSC-UHFFFAOYSA-NBDBM191876DB-128594US9187429, 14-(8-amino-5,6,7,8-tetrahydro-4-isoquinolinyl)benzonitrile(rac)-4-(8-Amino-5,6,7,8-tetrahydroisoquinolin-4-yl)benzonitrile
Database identifiers
- PubChem CID
- 71811360
- ChEMBL
CHEMBL3623822- Nikkaji
- J3.476.581B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Related reactions
8 records
Compound notes
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