(5's,7's)-5'-methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.13,7]decane]-6'-one

• ChemBase编号: 194323
• 分子式: C17H28N2O
• 平均质量: 276.41702
• 单一同位素质量: 276.22016353
• SMILES: [C@@]12(C(=O)[C@]3(CN(C4(N(C1)C3)CCCCC4)C2)CCC)C
• Canonical SMILES: CCC[C@]12CN3C[C@@](C2=O)(CN(C1)C13CCCCC1)C
• InChI: InChI=1S/C17H28N2O/c1-3-7-16-12-18-10-15(2,14(16)20)11-19(13-16)17(18)8-5-4-6-9-17/h3-13H2,1-2H3/t15-,16+
• InChIKey: CMOACXVWIHSUTG-IYBDPMFKSA-N

名称和登记号

名称

• IUPAC标准名: (5's,7's)-5'-methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-one
• IUPAC传统名: (5'R,7'S)-5'-methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-one

登记号

• PubChem SID: 164250233
• PubChem CID: 752764

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.4362361
• LogD (pH = 7.4): 3.1529245
• Log P: 3.5968132
• 摩尔折射率: 81.2724 cm^3
• 极化性: 32.255264 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds