[(4,6-dimethylpyridin-2-yl)methyl](methyl)({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine

• ChemBase编号: 592981
• 分子式: C18H22N4
• 平均质量: 294.39408
• 单一同位素质量: 294.18444672
• SMILES: c1(n2c(nc1C)cccc2)CN(Cc1nc(cc(c1)C)C)C
• Canonical SMILES: CN(Cc1c(C)nc2n1cccc2)Cc1cc(C)cc(n1)C
• InChI: InChI=1S/C18H22N4/c1-13-9-14(2)19-16(10-13)11-21(4)12-17-15(3)20-18-7-5-6-8-22(17)18/h5-10H,11-12H2,1-4H3
• InChIKey: ASPOCCZAEMRGLV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4,6-dimethylpyridin-2-yl)methyl](methyl)({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
• IUPAC传统名: [(4,6-dimethylpyridin-2-yl)methyl](methyl)({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
• 别名: 1-(4,6-dimethylpyridin-2-yl)-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.41097146
• LogD (pH = 7.4): 1.8690771
• Log P: 1.9853816
• 摩尔折射率: 90.5143 cm^3
• 极化性: 34.3403 Å^3
• 极化表面积: 33.43 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.87
• LOG S: -1.49
• 极化表面积: 33.43 Å^2
• 可自由旋转的化学键: 4