dodecyltrimethylazanium

• ChemBase ID: 2495
• Molecular Formular: C15H34N+
• Molecular Mass: 228.43716
• Monoisotopic Mass: 228.26912509
• SMILES: C(CCCCCCCCCCC)[N+](C)(C)C
• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)C
• InChI: InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1
• InChIKey: VICYBMUVWHJEFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyltrimethylazanium
• IUPAC Traditional name: dodecyltrimethylammonium
• Synonyms: Dodecane-Trimethylamine

Database IDs

• PubChem SID: 160965945; 46506419
• PubChem CID: 8153

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9082812
• LogD (pH = 7.4): 0.9082812
• Log P: 0.9082812
• Molar Refractivity: 86.5833 cm^3
• Polarizability: 29.887444 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 1.26
• LOG S: -7.35
• Solubility (Water): 1.17e-05 g/l

DETAILS

DrugBank - DB02779

Drug information: experimental