[4,6-dimethyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine

• ChemBase编号: 281478
• 分子式: C12H19N3
• 平均质量: 205.29936
• 单一同位素质量: 205.15789762
• SMILES: c1(c(c(cc(n1)C)C)CN)N1CCCC1
• Canonical SMILES: NCc1c(C)cc(nc1N1CCCC1)C
• InChI: InChI=1S/C12H19N3/c1-9-7-10(2)14-12(11(9)8-13)15-5-3-4-6-15/h7H,3-6,8,13H2,1-2H3
• InChIKey: ORPXQUBSCPPHOR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [4,6-dimethyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
• IUPAC传统名: [4,6-dimethyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine
• 别名: [4,6-dimethyl-2-(pyrrolidin-1-yl)pyridin-3-yl]methanamine

登记号

• MDL号: MFCD12913264
• PubChem SID: 180667009
• PubChem CID: 45792616

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.8878566
• LogD (pH = 7.4): 0.20087196
• Log P: 1.6344322
• 摩尔折射率: 64.2903 cm^3
• 极化性: 24.106518 Å^3
• 极化表面积: 42.15 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.373

产品相关信息

• 纯度: 95%