N-(cyclohexylmethyl)-2,4,6-trimethylaniline

• ChemBase ID: 28885
• Molecular Formular: C16H25N
• Molecular Mass: 231.3764
• Monoisotopic Mass: 231.19869981
• SMILES: c1(NCC2CCCCC2)c(cc(cc1C)C)C
• Canonical SMILES: Cc1cc(C)cc(c1NCC1CCCCC1)C
• InChI: InChI=1S/C16H25N/c1-12-9-13(2)16(14(3)10-12)17-11-15-7-5-4-6-8-15/h9-10,15,17H,4-8,11H2,1-3H3
• InChIKey: FBNUOAVWSKGPMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohexylmethyl)-2,4,6-trimethylaniline
• IUPAC Traditional name: N-(cyclohexylmethyl)-2,4,6-trimethylaniline
• Synonyms: N-(Cyclohexylmethyl)-2,4,6-trimethylaniline

Database IDs

• MDL Number: MFCD03211363
• PubChem SID: 160992192
• PubChem CID: 23790727

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7925944
• LogD (pH = 7.4): 5.0949483
• Log P: 5.100571
• Molar Refractivity: 77.1204 cm^3
• Polarizability: 28.978636 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false