1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

• ChemBase编号: 267549
• 分子式: C9H15N3O
• 平均质量: 181.2349
• 单一同位素质量: 181.12151212
• SMILES: c1(nc(on1)CC)C1(N)CCCC1
• Canonical SMILES: CCc1onc(n1)C1(N)CCCC1
• InChI: InChI=1S/C9H15N3O/c1-2-7-11-8(12-13-7)9(10)5-3-4-6-9/h2-6,10H2,1H3
• InChIKey: IHIDOZUVHPHRDK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
• IUPAC传统名: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
• 别名: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

登记号

• MDL号: MFCD12138416
• PubChem SID: 164323459
• PubChem CID: 43559358

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.9369323
• LogD (pH = 7.4): 0.791917
• Log P: 1.5625379
• 摩尔折射率: 50.1788 cm^3
• 极化性: 19.058792 Å^3
• 极化表面积: 64.94 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.706

产品相关信息

• 纯度: 95%