Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)Cc1cccc(C#N)c1- InChIKey
YJQNNFCHKZSTTF-UHFFFAOYSA-N- Molecular formula
- C40H72N2
- Average molar mass
- 581 g/mol
Names & identifiers
- Preferred name
- 1-(Dihexadecyl)aminomethyl-3-cyanobenzene
- IUPAC
- 3-[(dihexadecylamino)methyl]benzonitrile
Names & synonyms
SCHEMBL11232449YJQNNFCHKZSTTF-UHFFFAOYSA-N1-(Dihexadecyl)aminomethyl-3-cyanobenzenealpha-[N,N-di(n-hexadecyl)amino]-m-toluonitrile
Database identifiers
- PubChem CID
- 12565136
Properties
Computed structural properties
- XLogP
- 17
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 32
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 545
Related reactions
5 records
Compound notes
Loading…