Basic information
- Standard SMILES
CC(C)(C)COc1ccc(N)cc1C#N- InChIKey
DEINXCIUINFITP-UHFFFAOYSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
Names & identifiers
- Preferred name
- 5-Amino-2-neopentyloxybenzonitrile
- IUPAC
- 5-amino-2-(2,2-dimethylpropoxy)benzonitrile
Names & synonyms
5-amino-2-neopentyloxybenzonitrileSCHEMBL5857594DEINXCIUINFITP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 17822734
- Nikkaji
- J2.400.574G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Related reactions
43 records
Compound notes
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