4',8'-dimethyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride

• ChemBase编号: 188844
• 分子式: C16H24ClN
• 平均质量: 265.82146
• 单一同位素质量: 265.15972745
• SMILES: c12NC3(CC(c1cccc2C)C)CCCCC3.Cl
• Canonical SMILES: CC1CC2(CCCCC2)Nc2c1cccc2C.Cl
• InChI: InChI=1S/C16H23N.ClH/c1-12-7-6-8-14-13(2)11-16(17-15(12)14)9-4-3-5-10-16;/h6-8,13,17H,3-5,9-11H2,1-2H3;1H
• InChIKey: CFSCZKORIZNPOR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4',8'-dimethyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride
• IUPAC传统名: 4',8'-dimethyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride

登记号

• PubChem SID: 164244754
• PubChem CID: 52993627

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.383575
• LogD (pH = 7.4): 4.4529996
• Log P: 4.453961
• 摩尔折射率: 74.656 cm^3
• 极化性: 28.316198 Å^3
• 极化表面积: 12.03 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

• 成盐信息: HCl
• 分类: Rare Derivatives of Natural Compounds