{imidazo[1,2-a]pyridin-2-ylmethyl}(4-methoxy-4-methylpentan-2-yl)amine

• ChemBase编号: 660564
• 分子式: C15H23N3O
• 平均质量: 261.36262
• 单一同位素质量: 261.18411237
• SMILES: n1c2n(cc1CNC(CC(OC)(C)C)C)cccc2
• Canonical SMILES: COC(CC(NCc1nc2n(c1)cccc2)C)(C)C
• InChI: InChI=1S/C15H23N3O/c1-12(9-15(2,3)19-4)16-10-13-11-18-8-6-5-7-14(18)17-13/h5-8,11-12,16H,9-10H2,1-4H3
• InChIKey: ZFSYOKSNQDZKPY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {imidazo[1,2-a]pyridin-2-ylmethyl}(4-methoxy-4-methylpentan-2-yl)amine
• IUPAC传统名: {imidazo[1,2-a]pyridin-2-ylmethyl}(4-methoxy-4-methylpentan-2-yl)amine
• 别名: (imidazo[1,2-a]pyridin-2-ylmethyl)(3-methoxy-1,3-dimethylbutyl)amine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.4484342
• LogD (pH = 7.4): 0.11303443
• Log P: 1.5260811
• 摩尔折射率: 78.0469 cm^3
• 极化性: 30.238579 Å^3
• 极化表面积: 38.56 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 1.94
• LOG S: -1.76
• 极化表面积: 38.56 Å^2
• 可自由旋转的化学键: 6