N-cyclopropyl-N-methylpiperidin-4-amine

• ChemBase编号: 165273
• 分子式: C9H18N2
• 平均质量: 154.25262
• 单一同位素质量: 154.14699859
• SMILES: N1CCC(CC1)N(C1CC1)C
• Canonical SMILES: CN(C1CC1)C1CCNCC1
• InChI: InChI=1S/C9H18N2/c1-11(8-2-3-8)9-4-6-10-7-5-9/h8-10H,2-7H2,1H3
• InChIKey: KYQRGPANQWPCDK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-N-methylpiperidin-4-amine
• IUPAC传统名: N-cyclopropyl-N-methylpiperidin-4-amine
• 别名: N-Cyclopropyl-N-methylpiperidine-4-amine Dihydrochloride; N-Cyclopropyl-N-methyl-4-piperidinamine Hydrochloride

登记号

• CAS号: 1197237-40-3
• PubChem SID: 162259406
• PubChem CID: 45156797

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.5118074
• LogD (pH = 7.4): -3.3213046
• Log P: 0.29949218
• 摩尔折射率: 47.3557 cm^3
• 极化性: 18.918522 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - C988770

Used in the preparation of 2-amido benzoic acid compounds as viral polymerase inhibitors.