methyl[3-(1-methyl-1H-imidazol-2-yl)propyl][2-methyl-2-(piperidin-1-yl)propyl]amine

• ChemBase ID: 788744
• Molecular Formular: C17H32N4
• Molecular Mass: 292.46278
• Monoisotopic Mass: 292.26269704
• SMILES: n1(c(ncc1)CCCN(CC(N1CCCCC1)(C)C)C)C
• Canonical SMILES: CN(CC(N1CCCCC1)(C)C)CCCc1nccn1C
• InChI: InChI=1S/C17H32N4/c1-17(2,21-12-6-5-7-13-21)15-19(3)11-8-9-16-18-10-14-20(16)4/h10,14H,5-9,11-13,15H2,1-4H3
• InChIKey: WNUPUZJUWHRUPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(1-methyl-1H-imidazol-2-yl)propyl][2-methyl-2-(piperidin-1-yl)propyl]amine
• IUPAC Traditional name: methyl[2-methyl-2-(piperidin-1-yl)propyl][3-(1-methylimidazol-2-yl)propyl]amine
• Synonyms: N,2-dimethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-2-piperidin-1-ylpropan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.0231524
• LogD (pH = 7.4): -0.83887887
• Log P: 2.1848514
• Molar Refractivity: 90.4517 cm^3
• Polarizability: 35.10824 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.35
• LOG S: -2.33
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 7