hexadecyl(methyl)amine

• ChemBase ID: 173772
• Molecular Formular: C17H37N
• Molecular Mass: 255.48238
• Monoisotopic Mass: 255.29260019
• SMILES: CCCCCCCCCCCCCCCCNC
• Canonical SMILES: CCCCCCCCCCCCCCCCNC
• InChI: InChI=1S/C17H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2/h18H,3-17H2,1-2H3
• InChIKey: IHFXMTOFDQKABX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecyl(methyl)amine
• IUPAC Traditional name: hexadecyl(methyl)amine
• Synonyms: N-Methylcetylamine; N-Methylhexadecanamine; N-Methylpalmitylamine; n-Hexadecylmethylamine; N-Methyl-1-hexadecanamine; N-Methylhexadecylamine

Database IDs

• CAS Number: 13417-08-8
• PubChem SID: 164229682
• PubChem CID: 83422

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2306082
• LogD (pH = 7.4): 3.575984
• Log P: 6.4658446
• Molar Refractivity: 83.779 cm^3
• Polarizability: 33.659523 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false