(1R,5S,8S)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine

• ChemBase编号: 309880
• 分子式: C9H18N2
• 平均质量: 154.25262
• 单一同位素质量: 154.14699859
• SMILES: [C@H]1([C@H]2CC[C@@H]1CNC2)N(C)C
• Canonical SMILES: CN([C@@H]1[C@@H]2CNC[C@H]1CC2)C
• InChI: InChI=1S/C9H18N2/c1-11(2)9-7-3-4-8(9)6-10-5-7/h7-10H,3-6H2,1-2H3/t7-,8+,9+
• InChIKey: YWBICKVWQPKKHN-BRPSZJMVSA-N

名称和登记号

名称

• IUPAC标准名: (1R,5S,8S)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine
• IUPAC传统名: (1R,5S,8S)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine
• 别名: (8-syn)-N,N-dimethyl-3-azabicyclo[3.2.1]octan-8-amine

登记号

• MDL号: MFCD22370143

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.5407896
• LogD (pH = 7.4): -3.46829
• Log P: 0.32884887
• 摩尔折射率: 47.1751 cm^3
• 极化性: 18.918522 Å^3
• 极化表面积: 15.27 Å^2