[3-(dimethylamino)propyl]({[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl})amine

• ChemBase编号: 181426
• 分子式: C19H36N2
• 平均质量: 292.50254
• 单一同位素质量: 292.28784916
• SMILES: C1(=CCC(C(C1)C)CNCCCN(C)C)CCC=C(C)C
• Canonical SMILES: CN(CCCNCC1CC=C(CC1C)CCC=C(C)C)C
• InChI: InChI=1S/C19H36N2/c1-16(2)8-6-9-18-10-11-19(17(3)14-18)15-20-12-7-13-21(4)5/h8,10,17,19-20H,6-7,9,11-15H2,1-5H3
• InChIKey: RFROODWOQYPGPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [3-(dimethylamino)propyl]({[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl})amine
• IUPAC传统名: [3-(dimethylamino)propyl]({[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl})amine

登记号

• PubChem SID: 164237336
• PubChem CID: 2855628

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.9647715
• LogD (pH = 7.4): -0.015815077
• Log P: 3.828182
• 摩尔折射率: 97.0727 cm^3
• 极化性: 37.66282 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 9
• 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