{8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine

• ChemBase编号: 281574
• 分子式: C11H20N2
• 平均质量: 180.2899
• 单一同位素质量: 180.16264865
• SMILES: N1(C2CC(CC1CC2)CN)C1CC1
• Canonical SMILES: NCC1CC2CCC(C1)N2C1CC1
• InChI: InChI=1S/C11H20N2/c12-7-8-5-10-3-4-11(6-8)13(10)9-1-2-9/h8-11H,1-7,12H2
• InChIKey: ZUASHELDOVYWKV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine
• IUPAC传统名: {8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine
• 别名: {8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl}methanamine

登记号

• MDL号: MFCD13196383
• PubChem SID: 180667105
• PubChem CID: 45792690

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.669759
• LogD (pH = 7.4): -5.0772943
• Log P: 0.8528442
• 摩尔折射率: 54.2805 cm^3
• 极化性: 21.872458 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.651

产品相关信息

• 纯度: 95%