(cyclopentylmethyl)(methyl)({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)amine

• ChemBase编号: 478765
• 分子式: C19H32N2O
• 平均质量: 304.47018
• 单一同位素质量: 304.25146365
• SMILES: c1(oc(cc1)C)CN1CCC(CN(CC2CCCC2)C)CC1
• Canonical SMILES: CN(CC1CCCC1)CC1CCN(CC1)Cc1ccc(o1)C
• InChI: InChI=1S/C19H32N2O/c1-16-7-8-19(22-16)15-21-11-9-18(10-12-21)14-20(2)13-17-5-3-4-6-17/h7-8,17-18H,3-6,9-15H2,1-2H3
• InChIKey: JOFWJXMULRMTIE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (cyclopentylmethyl)(methyl)({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)amine
• IUPAC传统名: (cyclopentylmethyl)(methyl)({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)amine
• 别名: (cyclopentylmethyl)methyl({1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}methyl)amine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -3.1802294
• LogD (pH = 7.4): -1.1541253
• Log P: 3.331572
• 摩尔折射率: 93.5544 cm^3
• 极化性: 36.349506 Å^3
• 极化表面积: 19.62 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 4.25
• LOG S: -2.75
• 极化表面积: 19.62 Å^2
• 可自由旋转的化学键: 6