N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

• ChemBase编号: 284351
• 分子式: C10H18N4O
• 平均质量: 210.27612
• 单一同位素质量: 210.14806122
• SMILES: n1c(noc1CC)CN(C1CCNC1)C
• Canonical SMILES: CCc1onc(n1)CN(C1CNCC1)C
• InChI: InChI=1S/C10H18N4O/c1-3-10-12-9(13-15-10)7-14(2)8-4-5-11-6-8/h8,11H,3-7H2,1-2H3
• InChIKey: LMROLUHKNWOLGF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
• IUPAC传统名: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
• 别名: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine

登记号

• MDL号: MFCD18325876
• PubChem SID: 180669882
• PubChem CID: 63301833

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.7608597
• LogD (pH = 7.4): -2.464196
• Log P: 0.606125
• 摩尔折射率: 59.0861 cm^3
• 极化性: 22.42384 Å^3
• 极化表面积: 54.19 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.042

产品相关信息

• 纯度: 95%