[3-(cyclododecylamino)propyl]dimethylamine

• ChemBase ID: 181366
• Molecular Formular: C17H36N2
• Molecular Mass: 268.48114
• Monoisotopic Mass: 268.28784916
• SMILES: N(CCCNC1CCCCCCCCCCC1)(C)C
• Canonical SMILES: CN(CCCNC1CCCCCCCCCCC1)C
• InChI: InChI=1S/C17H36N2/c1-19(2)16-12-15-18-17-13-10-8-6-4-3-5-7-9-11-14-17/h17-18H,3-16H2,1-2H3
• InChIKey: ZFYNWAPXUAFXRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(cyclododecylamino)propyl]dimethylamine
• IUPAC Traditional name: [3-(cyclododecylamino)propyl]dimethylamine

Database IDs

• PubChem SID: 164237276
• PubChem CID: 3132943

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4308219
• LogD (pH = 7.4): 0.50837463
• Log P: 4.3524084
• Molar Refractivity: 86.1981 cm^3
• Polarizability: 34.43194 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds