6'-iodo-4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride

• ChemBase编号: 195076
• 分子式: C15H21ClIN
• 平均质量: 377.69141
• 单一同位素质量: 377.04072536
• SMILES: N1c2c(C(CC31CCCCC3)C)cc(cc2)I.Cl
• Canonical SMILES: Ic1ccc2c(c1)C(C)CC1(N2)CCCCC1.Cl
• InChI: InChI=1S/C15H20IN.ClH/c1-11-10-15(7-3-2-4-8-15)17-14-6-5-12(16)9-13(11)14;/h5-6,9,11,17H,2-4,7-8,10H2,1H3;1H
• InChIKey: IZBXOMCYZRUSRF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6'-iodo-4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride
• IUPAC传统名: 6'-iodo-4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride

登记号

• PubChem SID: 164250986
• PubChem CID: 52993815

理论计算性质

• 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
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.811665
• LogD (pH = 7.4): 4.8687057
• Log P: 4.869484
• 摩尔折射率: 82.9773 cm^3
• 极化性: 31.494541 Å^3

分子性质

产品相关信息

• 成盐信息: HCl
• 分类: Derivatives & analogs of Natural Compounds