N-cyclopentyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

• ChemBase编号: 804897
• 分子式: C16H25BN2O2
• 平均质量: 288.1929
• 单一同位素质量: 288.20090845
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)NC1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)NC1CCCC1
• InChI: InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)13-10-7-11-14(19-13)18-12-8-5-6-9-12/h7,10-12H,5-6,8-9H2,1-4H3,(H,18,19)
• InChIKey: FJYXHAJSEWJCPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• IUPAC传统名: N-cyclopentyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• 别名: 6-(CYCLOPENTYLAMINO)PYRIDINE-2-BORONIC ACID PINACOL ESTER

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 4.7446156
• LogD (pH = 7.4): 4.748352
• Log P: 4.7484
• 摩尔折射率: 80.7902 cm^3
• 极化性: 32.72628 Å^3
• 极化表面积: 43.38 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%