[3-(hexadecylamino)propyl](methyl)amine

• ChemBase ID: 24444
• Molecular Formular: C20H44N2
• Molecular Mass: 312.57676
• Monoisotopic Mass: 312.35044942
• SMILES: N(CCCNCCCCCCCCCCCCCCCC)C
• Canonical SMILES: CCCCCCCCCCCCCCCCNCCCNC
• InChI: InChI=1S/C20H44N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-20-17-18-21-2/h21-22H,3-20H2,1-2H3
• InChIKey: VHZNVMLRHMWTND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(hexadecylamino)propyl](methyl)amine
• IUPAC Traditional name: [3-(hexadecylamino)propyl](methyl)amine
• Synonyms: N1-Hexadecyl-N3-methyl-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687333
• PubChem SID: 160987751
• PubChem CID: 46736042

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.02651914
• LogD (pH = 7.4): 1.8396312
• Log P: 6.161401
• Molar Refractivity: 101.3688 cm^3
• Polarizability: 40.716053 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false