[(1-ethylpiperidin-3-yl)methyl](methyl)amine

• ChemBase编号: 306941
• 分子式: C9H20N2
• 平均质量: 156.2685
• 单一同位素质量: 156.16264865
• SMILES: N1(CC(CNC)CCC1)CC
• Canonical SMILES: CNCC1CCCN(C1)CC
• InChI: InChI=1S/C9H20N2/c1-3-11-6-4-5-9(8-11)7-10-2/h9-10H,3-8H2,1-2H3
• InChIKey: CWENJDZQKVBYRM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(1-ethylpiperidin-3-yl)methyl](methyl)amine
• IUPAC传统名: [(1-ethylpiperidin-3-yl)methyl](methyl)amine
• 别名: 1-(1-ethylpiperidin-3-yl)-N-methylmethanamine

登记号

• CAS号: 937648-03-8
• MDL号: MFCD08572188

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.3416967
• LogD (pH = 7.4): -3.2971134
• Log P: 0.6928931
• 摩尔折射率: 49.6123 cm^3
• 极化性: 19.657892 Å^3
• 极化表面积: 15.27 Å^2