Basic information
- Standard SMILES
CC(C)(C)NCC(O)c1cc(C#N)c(N)c(C#N)c1- InChIKey
NKNMHRPXDGDBLH-UHFFFAOYSA-N- Molecular formula
- C14H18N4O
- Average molar mass
- 258.32 g/mol
Names & identifiers
- Preferred name
- 1-(4'-Amino-3',5'-dicyano-phenyl)-2-tert.butylamino-ethanol
- IUPAC
- 2-amino-5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-dicarbonitrile
Names & synonyms
SCHEMBL11026693NKNMHRPXDGDBLH-UHFFFAOYSA-N1-(4'-Amino-3',5'-dicyano-phenyl)-2-tert.butylamino-ethanol
Database identifiers
- PubChem CID
- 41850
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
2 records
Compound notes
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