(5's,7's)-5',7'-dimethyl-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.13,7]decane]-6'-ol

• ChemBase编号: 184865
• 分子式: C14H24N2O
• 平均质量: 236.35316
• 单一同位素质量: 236.1888634
• SMILES: [C@]12(C([C@@]3(CN(C4(N(C1)C3)CCCC4)C2)C)O)C
• Canonical SMILES: OC1[C@]2(C)CN3C[C@@]1(C)CN(C2)C13CCCC1
• InChI: InChI=1S/C14H24N2O/c1-12-7-15-9-13(2,11(12)17)10-16(8-12)14(15)5-3-4-6-14/h11,17H,3-10H2,1-2H3/t11?,12-,13+
• InChIKey: YNEYCWUCWHGJRI-YHWZYXNKSA-N

名称和登记号

名称

• IUPAC标准名: (5's,7's)-5',7'-dimethyl-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-ol
• IUPAC传统名: (5's,7's)-5',7'-dimethyl-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-ol

登记号

• PubChem SID: 164240775
• PubChem CID: 713571

理论计算性质

• Acid pKa: 14.169684
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.46763223
• LogD (pH = 7.4): 1.0885211
• Log P: 1.3435526
• 摩尔折射率: 68.0859 cm^3
• 极化性: 27.272984 Å^3
• 极化表面积: 26.71 Å^2
• 可自由旋转的化学键: 0
• 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