1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine

C216H335ClF5N17O9 — CID 159143702

About 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine

1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine (PubChem CID 159143702) has the molecular formula C216H335ClF5N17O9 and a molecular weight of 3444.61 g/mol. Its IUPAC name is 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine.

Molecular Properties

• Compound Name: 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine
• PubChem CID: 159143702
• Molecular Formula: C216H335ClF5N17O9
• Molecular Weight: 3444.61 g/mol
• Exact Mass: 3441.59
• IUPAC Name: 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine
• SMILES: C=C(CC(C)C)N1CCNC(=O)C1.CC(C)(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)NC(C)C.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)c1ccc(F)cc1.CC(C)CC(=O)c1ccccc1.CC(C)CCCc1ccc(C(F)(F)F)nc1.CC(C)CCCc1ccc(Cl)cc1.CCN(C)C(=O)CC(C)(C)C.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(C2(CC(C)C)CC2)cc1.Cc1ccc(CC(C)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCCC(C)C)cc1.Cc1ncc(CC(C)(C)C(C)C)cn1.Cc1ncc(CCC(C)C)cn1.Cc1ncc(CCC(C)C)cn1
• InChI: InChI=1S/C14H20.C13H21N.C13H20.C12H17Cl.C12H16F3N.C12H20N2.2C12H17NO.C12H23NO.C12H19N.C12H18.C11H14FNO.C11H13FO.C11H14O.C10H18N2O.2C10H16N2.C9H19NO.C8H17NO/c1-11(2)10-14(8-9-14)13-6-4-12(3)5-7-13;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-9(2)4-3-5-10-6-7-11(16-8-10)12(13,14)15;1-9(2)12(4,5)6-11-7-13-10(3)14-8-11;2*1-9(2)12(14)7-6-11-5-4-10(3)13-8-11;1-12(2,3)9-11(14)13-10-7-5-4-6-8-10;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(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)6-9(3)12-5-4-11-10(13)7-12;2*1-8(2)4-5-10-6-11-9(3)12-7-10;1-6-10(5)8(11)7-9(2,3)4;1-6(2)5-8(10)9-7(3)4/h4-7,11H,8-10H2,1-3H3;6-7,9-10H,8H2,1-5H3;7-11H,4-6H2,1-3H3;6-10H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;7-9H,6H2,1-5H3;2*4-5,8-9H,6-7H2,1-3H3;10H,4-9H2,1-3H3,(H,13,14);5-6,8-10H,7H2,1-4H3;5-6,8-10H,4,7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;8H,3-7H2,1-2H3,(H,11,13);2*6-8H,4-5H2,1-3H3;6-7H2,1-5H3;6-7H,5H2,1-4H3,(H,9,10)
• InChIKey: KIKLJYFSBRJBEH-UHFFFAOYSA-N
• XLogP: 55.91
• TPSA: 350.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 60
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3444.61
LogP ≤ 5	55.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine?

The IUPAC name of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine (CID 159143702) is 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine.

What is the SMILES notation for 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine?

The canonical SMILES for 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine is C=C(CC(C)C)N1CCNC(=O)C1.CC(C)(C)CC(=O)NC1CCCCC1.CC(C)CC(=O)NC(C)C.CC(C)CC(=O)Nc1ccc(F)cc1.CC(C)CC(=O)c1ccc(F)cc1.CC(C)CC(=O)c1ccccc1.CC(C)CCCc1ccc(C(F)(F)F)nc1.CC(C)CCCc1ccc(Cl)cc1.CCN(C)C(=O)CC(C)(C)C.Cc1ccc(C(C)(C)CC(C)C)cn1.Cc1ccc(C2(CC(C)C)CC2)cc1.Cc1ccc(CC(C)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(=O)C(C)C)cn1.Cc1ccc(CCC(C)C)cc1.Cc1ccc(CCCC(C)C)cc1.Cc1ncc(CC(C)(C)C(C)C)cn1.Cc1ncc(CCC(C)C)cn1.Cc1ncc(CCC(C)C)cn1.

What is the InChIKey of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine?

The InChIKey is KIKLJYFSBRJBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C13H21N.C13H20.C12H17Cl.C12H16F3N.C12H20N2.2C12H17NO.C12H23NO.C12H19N.C12H18.C11H14FNO.C11H13FO.C11H14O.C10H18N2O.2C10H16N2.C9H19NO.C8H17NO/c1-11(2)10-14(8-9-14)13-6-4-12(3)5-7-13;1-10(2)8-13(4,5)12-7-6-11(3)14-9-12;1-11(2)5-4-6-13-9-7-12(3)8-10-13;1-10(2)4-3-5-11-6-8-12(13)9-7-11;1-9(2)4-3-5-10-6-7-11(16-8-10)12(13,14)15;1-9(2)12(4,5)6-11-7-13-10(3)14-8-11;2*1-9(2)12(14)7-6-11-5-4-10(3)13-8-11;1-12(2,3)9-11(14)13-10-7-5-4-6-8-10;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(14)13-10-5-3-9(12)4-6-10;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)6-9(3)12-5-4-11-10(13)7-12;2*1-8(2)4-5-10-6-11-9(3)12-7-10;1-6-10(5)8(11)7-9(2,3)4;1-6(2)5-8(10)9-7(3)4/h4-7,11H,8-10H2,1-3H3;6-7,9-10H,8H2,1-5H3;7-11H,4-6H2,1-3H3;6-10H,3-5H2,1-2H3;6-9H,3-5H2,1-2H3;7-9H,6H2,1-5H3;2*4-5,8-9H,6-7H2,1-3H3;10H,4-9H2,1-3H3,(H,13,14);5-6,8-10H,7H2,1-4H3;5-6,8-10H,4,7H2,1-3H3;3-6,8H,7H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;8H,3-7H2,1-2H3,(H,11,13);2*6-8H,4-5H2,1-3H3;6-7H2,1-5H3;6-7H,5H2,1-4H3,(H,9,10).

What are the key properties of 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine?

1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine has a molecular weight of 3444.61 g/mol, XLogP of 55.91, 60 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-(4-methylpentyl)benzene;N-cyclohexyl-3,3-dimethylbutanamide;5-(2,3-dimethylbutyl)-2-methylpyridine;5-(2,4-dimethylpentan-2-yl)-2-methylpyridine;N-ethyl-N,3,3-trimethylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;1-(4-fluorophenyl)-3-methylbutan-1-one;1-methyl-4-(3-methylbutyl)benzene;bis(2-methyl-5-(3-methylbutyl)pyrimidine);1-methyl-4-(4-methylpentyl)benzene;1-methyl-4-[1-(2-methylpropyl)cyclopropyl]benzene;bis(4-methyl-1-(6-methyl-3-pyridinyl)pentan-3-one);4-(4-methylpent-1-en-2-yl)piperazin-2-one;5-(4-methylpentyl)-2-(trifluoromethyl)pyridine;3-methyl-1-phenylbutan-1-one;3-methyl-N-propan-2-ylbutanamide;2-methyl-5-(2,2,3-trimethylbutyl)pyrimidine is sourced from PubChem (CID 159143702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).