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

• ChemBase编号: 284353
• 分子式: C11H18N4O
• 平均质量: 222.28682
• 单一同位素质量: 222.14806122
• SMILES: n1c(onc1CN(C1CCNC1)C)C1CC1
• Canonical SMILES: CN(C1CNCC1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C11H18N4O/c1-15(9-4-5-12-6-9)7-10-13-11(16-14-10)8-2-3-8/h8-9,12H,2-7H2,1H3
• InChIKey: MGEFLIBUAICODM-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD18325870
• PubChem SID: 180669884
• PubChem CID: 63301741

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.6945865
• LogD (pH = 7.4): -2.3979683
• Log P: 0.6723522
• 摩尔折射率: 61.8584 cm^3
• 极化性: 23.53895 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): -0.043

产品相关信息

• 纯度: 95%