[8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine

• ChemBase编号: 281575
• 分子式: C12H22N2
• 平均质量: 194.31648
• 单一同位素质量: 194.17829871
• SMILES: N1(C2CC(CC1CC2)CN)CC1CC1
• Canonical SMILES: NCC1CC2CCC(C1)N2CC1CC1
• InChI: InChI=1S/C12H22N2/c13-7-10-5-11-3-4-12(6-10)14(11)8-9-1-2-9/h9-12H,1-8,13H2
• InChIKey: WDTFYCOSMIXSEE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
• IUPAC传统名: [8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
• 别名: [8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine

登记号

• MDL号: MFCD13196384
• PubChem SID: 180667106
• PubChem CID: 45792691

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.352055
• LogD (pH = 7.4): -4.639611
• Log P: 1.1678569
• 摩尔折射率: 59.0113 cm^3
• 极化性: 23.718283 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.13

产品相关信息

• 纯度: 95%