N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine

C200H317F6N13O14 — CID 158164934

About N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine

N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine (PubChem CID 158164934) has the molecular formula C200H317F6N13O14 and a molecular weight of 3241.80 g/mol. Its IUPAC name is N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine.

Molecular Properties

• Compound Name: N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
• PubChem CID: 158164934
• Molecular Formula: C200H317F6N13O14
• Molecular Weight: 3241.80 g/mol
• Exact Mass: 3239.44
• IUPAC Name: N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine
• SMILES: CC(C)CC(=O)N(C)C1CCCCC1.CC(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)Oc1ccc(F)cc1.CC(C)CC(=O)c1ccc(F)cc1.CC(C)CC(=O)c1ccccc1.CC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCN(C)C(=O)CC(C)C.CC(C)CCOC(=O)CC(C)C.CC(C)CCc1cnc(C(F)(F)F)nc1.COC(=O)CC(C)C.Cc1ccc(C(=O)CC(C)C)cn1.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(CC(C)(C)C(C)C)cn1.Cc1ccc(CC(C)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ncc(CCC(C)C)cn1
• InChI: InChI=1S/C13H17F.2C13H21N.C12H17NO.C12H23NO.C12H19N.C12H18.C11H13FO2.C11H13FO.C11H15NO.2C11H21NO.C11H23NO.C11H14O.C10H13F3N2.C10H16N2.C10H20O2.C6H12O2/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)13(4,5)8-12-7-6-11(3)14-9-12;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;1-9(2)12(14)7-6-11-5-4-10(3)13-8-11;1-10(2)9-12(14)13(3)11-7-5-4-6-8-11;1-9(2)10(3)7-12-6-5-11(4)13-8-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)7-11(13)14-10-5-3-9(12)4-6-10;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-8(2)6-11(13)10-5-4-9(3)12-7-10;2*1-9(2)8-11(13)12-10-6-4-3-5-7-10;1-9(2)6-7-12(5)11(13)8-10(3)4;1-9(2)8-11(12)10-6-4-3-5-7-10;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)5-6-12-10(11)7-9(3)4;1-5(2)4-6(7)8-3/h3-6,10H,7-9H2,1-2H3;2*6-7,9-10H,8H2,1-5H3;4-5,8-9H,6-7H2,1-3H3;10-11H,4-9H2,1-3H3;5-6,8-10H,7H2,1-4H3;5-6,8-10H,4,7H2,1-3H3;3-6,8H,7H2,1-2H3;3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;2*9-10H,3-8H2,1-2H3,(H,12,13);9-10H,6-8H2,1-5H3;3-7,9H,8H2,1-2H3;5-7H,3-4H2,1-2H3;6-8H,4-5H2,1-3H3;8-9H,5-7H2,1-4H3;5H,4H2,1-3H3
• InChIKey: FWSMEYFVKYGGJN-UHFFFAOYSA-N
• XLogP: 51.56
• TPSA: 362.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 58
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3241.80
LogP ≤ 5	51.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?

The IUPAC name of N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine (CID 158164934) is N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine.

What is the SMILES notation for N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?

The canonical SMILES for N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine is CC(C)CC(=O)N(C)C1CCCCC1.CC(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)Oc1ccc(F)cc1.CC(C)CC(=O)c1ccc(F)cc1.CC(C)CC(=O)c1ccccc1.CC(C)CC1(c2ccc(F)cc2)CC1.CC(C)CCN(C)C(=O)CC(C)C.CC(C)CCOC(=O)CC(C)C.CC(C)CCc1cnc(C(F)(F)F)nc1.COC(=O)CC(C)C.Cc1ccc(C(=O)CC(C)C)cn1.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(CC(C)(C)C(C)C)cn1.Cc1ccc(CC(C)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ncc(CCC(C)C)cn1.

What is the InChIKey of N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?

The InChIKey is FWSMEYFVKYGGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F.2C13H21N.C12H17NO.C12H23NO.C12H19N.C12H18.C11H13FO2.C11H13FO.C11H15NO.2C11H21NO.C11H23NO.C11H14O.C10H13F3N2.C10H16N2.C10H20O2.C6H12O2/c1-10(2)9-13(7-8-13)11-3-5-12(14)6-4-11;1-10(2)13(4,5)8-12-7-6-11(3)14-9-12;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;1-9(2)12(14)7-6-11-5-4-10(3)13-8-11;1-10(2)9-12(14)13(3)11-7-5-4-6-8-11;1-9(2)10(3)7-12-6-5-11(4)13-8-12;1-10(2)4-7-12-8-5-11(3)6-9-12;1-8(2)7-11(13)14-10-5-3-9(12)4-6-10;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-8(2)6-11(13)10-5-4-9(3)12-7-10;2*1-9(2)8-11(13)12-10-6-4-3-5-7-10;1-9(2)6-7-12(5)11(13)8-10(3)4;1-9(2)8-11(12)10-6-4-3-5-7-10;1-7(2)3-4-8-5-14-9(15-6-8)10(11,12)13;1-8(2)4-5-10-6-11-9(3)12-7-10;1-8(2)5-6-12-10(11)7-9(3)4;1-5(2)4-6(7)8-3/h3-6,10H,7-9H2,1-2H3;2*6-7,9-10H,8H2,1-5H3;4-5,8-9H,6-7H2,1-3H3;10-11H,4-9H2,1-3H3;5-6,8-10H,7H2,1-4H3;5-6,8-10H,4,7H2,1-3H3;3-6,8H,7H2,1-2H3;3-6,8H,7H2,1-2H3;4-5,7-8H,6H2,1-3H3;2*9-10H,3-8H2,1-2H3,(H,12,13);9-10H,6-8H2,1-5H3;3-7,9H,8H2,1-2H3;5-7H,3-4H2,1-2H3;6-8H,4-5H2,1-3H3;8-9H,5-7H2,1-4H3;5H,4H2,1-3H3.

What are the key properties of N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine?

N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine has a molecular weight of 3241.80 g/mol, XLogP of 51.56, 58 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N,3-dimethylbutanamide;bis(N-cyclohexyl-3-methylbutanamide);5-(2,3-dimethylbutyl)-2-methylpyridine;N,3-dimethyl-N-(3-methylbutyl)butanamide;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;1-fluoro-4-[1-(2-methylpropyl)cyclopropyl]benzene;(4-fluorophenyl) 3-methylbutanoate;1-(4-fluorophenyl)-3-methylbutan-1-one;3-methylbutyl 3-methylbutanoate;5-(3-methylbutyl)-2-(trifluoromethyl)pyrimidine;methyl 3-methylbutanoate;1-methyl-4-(3-methylbutyl)benzene;2-methyl-5-(3-methylbutyl)pyrimidine;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one;4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one;3-methyl-1-phenylbutan-1-one;2-methyl-5-(2,2,3-trimethylbutyl)pyridine is sourced from PubChem (CID 158164934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).