methyl({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)[2-(morpholin-4-yl)propyl]amine

• ChemBase编号: 487549
• 分子式: C17H26N4O
• 平均质量: 302.41454
• 单一同位素质量: 302.21066147
• SMILES: c1(nc(n2c1cccc2)C)CN(CC(N1CCOCC1)C)C
• Canonical SMILES: CN(Cc1nc(n2c1cccc2)C)CC(N1CCOCC1)C
• InChI: InChI=1S/C17H26N4O/c1-14(20-8-10-22-11-9-20)12-19(3)13-16-17-6-4-5-7-21(17)15(2)18-16/h4-7,14H,8-13H2,1-3H3
• InChIKey: MIDDDUOYCWZGHC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)[2-(morpholin-4-yl)propyl]amine
• IUPAC传统名: methyl({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)[2-(morpholin-4-yl)propyl]amine
• 别名: N-methyl-N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-2-morpholin-4-ylpropan-1-amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.397951
• LogD (pH = 7.4): -0.13590568
• Log P: 0.77405816
• 摩尔折射率: 90.3103 cm^3
• 极化性: 35.321293 Å^3
• 极化表面积: 33.01 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 0.95
• LOG S: -1.21
• 极化表面积: 33.01 Å^2
• 可自由旋转的化学键: 5