N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine

• ChemBase编号: 359905
• 分子式: C19H22N2
• 平均质量: 278.39138
• 单一同位素质量: 278.17829871
• SMILES: C(C1CC1)(c1nccc(c1)C)NC1Cc2c(C1)cccc2
• Canonical SMILES: Cc1ccnc(c1)C(C1CC1)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C19H22N2/c1-13-8-9-20-18(10-13)19(14-6-7-14)21-17-11-15-4-2-3-5-16(15)12-17/h2-5,8-10,14,17,19,21H,6-7,11-12H2,1H3
• InChIKey: YBEJMGHHHIKWPR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
• IUPAC传统名: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
• 别名: N-[cyclopropyl(4-methylpyridin-2-yl)methyl]indan-2-amine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.9784564
• LogD (pH = 7.4): 2.4532292
• Log P: 4.014139
• 摩尔折射率: 85.7028 cm^3
• 极化性: 33.63967 Å^3
• 极化表面积: 24.92 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: 2
• 质子供体: 1
• Log P: 3.25
• LOG S: -1.7
• 极化表面积: 24.92 Å^2
• 可自由旋转的化学键: 4