N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,2,2,6,6-pentamethylpiperidin-4-amine

• ChemBase ID: 542624
• Molecular Formular: C16H30N4
• Molecular Mass: 278.4362
• Monoisotopic Mass: 278.24704698
• SMILES: c1(n(ccn1)CC)CN(C1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: CCn1ccnc1CN(C1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C16H30N4/c1-7-20-9-8-17-14(20)12-19(6)13-10-15(2,3)18-16(4,5)11-13/h8-9,13,18H,7,10-12H2,1-6H3
• InChIKey: JKBSPYRBRDHFQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,2,2,6,6-pentamethylpiperidin-4-amine
• IUPAC Traditional name: N-[(1-ethylimidazol-2-yl)methyl]-N,2,2,6,6-pentamethylpiperidin-4-amine
• Synonyms: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,2,2,6,6-pentamethylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6846197
• LogD (pH = 7.4): -1.4769962
• Log P: 1.4878846
• Molar Refractivity: 84.7982 cm^3
• Polarizability: 33.34016 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.66
• LOG S: -2.5
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 4