N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

• ChemBase编号: 310691
• 分子式: C14H26N2
• 平均质量: 222.36964
• 单一同位素质量: 222.20959884
• SMILES: N1(C2CC(CC1CC2)NC1CCCCC1)C
• Canonical SMILES: CN1C2CCC1CC(C2)NC1CCCCC1
• InChI: InChI=1S/C14H26N2/c1-16-13-7-8-14(16)10-12(9-13)15-11-5-3-2-4-6-11/h11-15H,2-10H2,1H3
• InChIKey: WGUYSKWWJNQJSC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
• IUPAC传统名: N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
• 别名: N-cyclohexyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

登记号

• CAS号: 464922-77-8
• MDL号: MFCD00578265

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.5246713
• LogD (pH = 7.4): -1.62751
• Log P: 2.1585298
• 摩尔折射率: 68.0401 cm^3
• 极化性: 27.410402 Å^3
• 极化表面积: 15.27 Å^2