N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1-(2-methylpropyl)piperidin-4-amine

• ChemBase ID: 769822
• Molecular Formular: C18H28N4
• Molecular Mass: 300.44172
• Monoisotopic Mass: 300.23139692
• SMILES: c12n(c(cn1)CNC1CCN(CC1)CC(C)C)cccc2C
• Canonical SMILES: CC(CN1CCC(CC1)NCc1cnc2n1cccc2C)C
• InChI: InChI=1S/C18H28N4/c1-14(2)13-21-9-6-16(7-10-21)19-11-17-12-20-18-15(3)5-4-8-22(17)18/h4-5,8,12,14,16,19H,6-7,9-11,13H2,1-3H3
• InChIKey: GDQKWLKNAKLAGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1-(2-methylpropyl)piperidin-4-amine
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1-(2-methylpropyl)piperidin-4-amine
• Synonyms: 1-isobutyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4317186
• LogD (pH = 7.4): -0.96741015
• Log P: 2.0224302
• Molar Refractivity: 93.2984 cm^3
• Polarizability: 35.811466 Å^3
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.12
• LOG S: -3.05
• Polar Surface Area: 32.57 Å^2
• Rotatable Bonds: 5