[3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl](methyl)amine

• ChemBase编号: 799844
• 分子式: C11H24N2
• 平均质量: 184.32166
• 单一同位素质量: 184.19394878
• SMILES: N(C)C(C(C)(C)C)CN1CCCC1
• Canonical SMILES: CNC(C(C)(C)C)CN1CCCC1
• InChI: InChI=1S/C11H24N2/c1-11(2,3)10(12-4)9-13-7-5-6-8-13/h10,12H,5-9H2,1-4H3
• InChIKey: LJLVINSPTFHSKF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl](methyl)amine
• IUPAC传统名: [3,3-dimethyl-1-(pyrrolidin-1-yl)butan-2-yl](methyl)amine
• 别名: (2,2-Dimethyl-1-pyrrolidin-1-ylmethyl-propyl)-methyl-amine

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.5300987
• LogD (pH = 7.4): -1.3591093
• Log P: 1.9136347
• 摩尔折射率: 58.066 cm^3
• 极化性: 23.35114 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%