(1R,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropan]-2-en-6-ylmethanamine

• ChemBase编号: 310371
• 分子式: C10H15N
• 平均质量: 149.2328
• 单一同位素质量: 149.12044949
• SMILES: C12([C@@H]3C=C[C@@H]2CC3CN)CC1
• Canonical SMILES: NCC1C[C@@H]2C3([C@@H]1C=C2)CC3
• InChI: InChI=1S/C10H15N/c11-6-7-5-8-1-2-9(7)10(8)3-4-10/h1-2,7-9H,3-6,11H2/t7?,8-,9-/m1/s1
• InChIKey: UOFXCPIGEWFBTF-CFCGPWAMSA-N

名称和登记号

名称

• IUPAC标准名: (1R,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropan]-2-en-6-ylmethanamine
• IUPAC传统名: (1R,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropan]-2-en-6-ylmethanamine
• 别名: rac-1-[(1R,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-5-en-2-yl]methanamine

登记号

• MDL号: MFCD24850076

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -2.1079183
• LogD (pH = 7.4): -1.6857247
• Log P: 0.91598666
• 摩尔折射率: 46.6959 cm^3
• 极化性: 18.270176 Å^3
• 极化表面积: 26.02 Å^2