1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one

C206H347FN14O21S — CID 162247862

IUPAC1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCC(C)CC1.CC(C)CCC(=O)N1CCCCC1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCCC[C@H]1C.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(C)(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/2C13H25NO.C13H20O3.C13H20O.2C12H23NO.C12H17NO.C12H18O.C11H15FO.C11H18N2O.C11H17NO.2C11H21NO.C11H16O.C10H19NO2.C10H19NOS.2C10H15NO/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-10(2)9-13(4,14)12-7-5-11(3)6-8-12;1-10(2)4-5-12(14)13-8-6-11(3)7-9-13;1-10(2)7-8-12(14)13-9-5-4-6-11(13)3;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-9(2)8-12(13)11-6-4-10(3)5-7-11;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-8(2)5-11(4,14)10-6-12-9(3)13-7-10;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-10(2)6-7-11(13)12-8-4-3-5-9-12;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)6-10(12)9-4-3-5-11-7-9;1-8(2)7-10(12)9-5-3-4-6-11-9/h11H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;5-8,10,14H,9H2,1-4H3;2*10-11H,4-9H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);4-7,9,12-13H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;4-5,7-8,11,13H,6H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9,11-12H,8H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;3-6,8,10,12H,7H2,1-2H3/t;;;;;11-;;;;;;;;;;;;/m.....1............/s1
InChIKeyZXOVCHLCVZIZHS-RAHMYIHQSA-N
MW3407.18 g/mol
LogP45.82
Rot. Bonds59

About 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one

1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one (PubChem CID 162247862) has the molecular formula C206H347FN14O21S and a molecular weight of 3407.18 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
PubChem CID162247862
Molecular FormulaC206H347FN14O21S
Molecular Weight3407.18 g/mol
Exact Mass3404.62
IUPAC Name1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCC(C)CC1.CC(C)CCC(=O)N1CCCCC1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCCC[C@H]1C.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(C)(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/2C13H25NO.C13H20O3.C13H20O.2C12H23NO.C12H17NO.C12H18O.C11H15FO.C11H18N2O.C11H17NO.2C11H21NO.C11H16O.C10H19NO2.C10H19NOS.2C10H15NO/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-10(2)9-13(4,14)12-7-5-11(3)6-8-12;1-10(2)4-5-12(14)13-8-6-11(3)7-9-13;1-10(2)7-8-12(14)13-9-5-4-6-11(13)3;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-9(2)8-12(13)11-6-4-10(3)5-7-11;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-8(2)5-11(4,14)10-6-12-9(3)13-7-10;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-10(2)6-7-11(13)12-8-4-3-5-9-12;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)6-10(12)9-4-3-5-11-7-9;1-8(2)7-10(12)9-5-3-4-6-11-9/h11H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;5-8,10,14H,9H2,1-4H3;2*10-11H,4-9H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);4-7,9,12-13H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;4-5,7-8,11,13H,6H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9,11-12H,8H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;3-6,8,10,12H,7H2,1-2H3/t;;;;;11-;;;;;;;;;;;;/m.....1............/s1
InChIKeyZXOVCHLCVZIZHS-RAHMYIHQSA-N
XLogP45.82
TPSA483.37 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds59
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003407.18
LogP ≤ 545.82
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one (CID 162247862) is 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one is CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCC(C)CC1.CC(C)CCC(=O)N1CCCCC1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCCC[C@H]1C.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(C)(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The InChIKey is ZXOVCHLCVZIZHS-RAHMYIHQSA-N. The full InChI is InChI=1S/2C13H25NO.C13H20O3.C13H20O.2C12H23NO.C12H17NO.C12H18O.C11H15FO.C11H18N2O.C11H17NO.2C11H21NO.C11H16O.C10H19NO2.C10H19NOS.2C10H15NO/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-10(2)9-13(4,14)12-7-5-11(3)6-8-12;1-10(2)4-5-12(14)13-8-6-11(3)7-9-13;1-10(2)7-8-12(14)13-9-5-4-6-11(13)3;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-9(2)8-12(13)11-6-4-10(3)5-7-11;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-8(2)5-11(4,14)10-6-12-9(3)13-7-10;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-10(2)6-7-11(13)12-8-4-3-5-9-12;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)6-10(12)9-4-3-5-11-7-9;1-8(2)7-10(12)9-5-3-4-6-11-9/h11H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;5-8,10,14H,9H2,1-4H3;2*10-11H,4-9H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);4-7,9,12-13H,8H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;4-5,7-8,11,13H,6H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9,11-12H,8H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;3-6,8,10,12H,7H2,1-2H3/t;;;;;11-;;;;;;;;;;;;/m.....1............/s1.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one?
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one has a molecular weight of 3407.18 g/mol, XLogP of 45.82, 59 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-2-(4-methylphenyl)pentan-2-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one is sourced from PubChem (CID 162247862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).