5-methyl-6-(2-methylpiperidin-1-yl)pyridin-3-amine

• ChemBase编号: 248554
• 分子式: C12H19N3
• 平均质量: 205.29936
• 单一同位素质量: 205.15789762
• SMILES: c1(N2C(C)CCCC2)ncc(cc1C)N
• Canonical SMILES: Nc1cnc(c(c1)C)N1CCCCC1C
• InChI: InChI=1S/C12H19N3/c1-9-7-11(13)8-14-12(9)15-6-4-3-5-10(15)2/h7-8,10H,3-6,13H2,1-2H3
• InChIKey: VSWRTRKQBZMFDP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methyl-6-(2-methylpiperidin-1-yl)pyridin-3-amine
• IUPAC传统名: 5-methyl-6-(2-methylpiperidin-1-yl)pyridin-3-amine
• 别名: 5-methyl-6-(2-methylpiperidin-1-yl)pyridin-3-amine

登记号

• MDL号: MFCD14545280
• PubChem SID: 164304464
• PubChem CID: 62477024

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.0674428
• LogD (pH = 7.4): 2.1405127
• Log P: 2.4095113
• 摩尔折射率: 64.9456 cm^3
• 极化性: 23.79624 Å^3
• 极化表面积: 42.15 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.723

产品相关信息

• 纯度: 95%