methyl({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(propan-2-yl)amine

• ChemBase编号: 345951
• 分子式: C19H28N4O
• 平均质量: 328.45182
• 单一同位素质量: 328.22631154
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(C(C)C)C)C(=O)N1CCCCC1
• Canonical SMILES: CN(C(C)C)Cc1c(nc2n1cccc2C)C(=O)N1CCCCC1
• InChI: InChI=1S/C19H28N4O/c1-14(2)21(4)13-16-17(19(24)22-10-6-5-7-11-22)20-18-15(3)9-8-12-23(16)18/h8-9,12,14H,5-7,10-11,13H2,1-4H3
• InChIKey: CQCQZQDWGGCNHY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(propan-2-yl)amine
• IUPAC传统名: isopropyl(methyl){[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• 别名: N-methyl-N-{[8-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}propan-2-amine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.27173153
• LogD (pH = 7.4): 1.5006952
• Log P: 2.4419606
• 摩尔折射率: 99.207 cm^3
• 极化性: 37.100307 Å^3
• 极化表面积: 40.85 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: 2.08
• LOG S: -3.37
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 4