(1R,5S,8S)-8-methoxy-3-azabicyclo[3.2.1]octane

• ChemBase编号: 309912
• 分子式: C8H15NO
• 平均质量: 141.2108
• 单一同位素质量: 141.11536411
• SMILES: [C@H]1([C@H]2CC[C@@H]1CNC2)OC
• Canonical SMILES: CO[C@@H]1[C@@H]2CNC[C@H]1CC2
• InChI: InChI=1S/C8H15NO/c1-10-8-6-2-3-7(8)5-9-4-6/h6-9H,2-5H2,1H3/t6-,7+,8+
• InChIKey: AOTPNGCEROUNSR-JIGDXULJSA-N

名称和登记号

名称

• IUPAC标准名: (1R,5S,8S)-8-methoxy-3-azabicyclo[3.2.1]octane
• IUPAC传统名: (1R,5S,8S)-8-methoxy-3-azabicyclo[3.2.1]octane
• 别名: (8-syn)-8-methoxy-3-azabicyclo[3.2.1]octane

登记号

• MDL号: MFCD21364397

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.963893
• LogD (pH = 7.4): -2.4026682
• Log P: 0.26322883
• 摩尔折射率: 40.1995 cm^3
• 极化性: 16.22448 Å^3
• 极化表面积: 21.26 Å^2