cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine

C204H319N13O12 — CID 159847096

About cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine

cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine (PubChem CID 159847096) has the molecular formula C204H319N13O12 and a molecular weight of 3145.87 g/mol. Its IUPAC name is cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine.

Molecular Properties

• Compound Name: cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
• PubChem CID: 159847096
• Molecular Formula: C204H319N13O12
• Molecular Weight: 3145.87 g/mol
• Exact Mass: 3143.48
• IUPAC Name: cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
• SMILES: CC(C)CCOc1ccc(C(C)C)cn1.CC(C)CCOc1cccc(C(C)C)n1.CC(C)CNc1cccc(C(C)C)n1.CC(C)COc1cccc(C(C)C)n1.CC(C)Oc1cccc(C(C)C)n1.CC(C)c1ccc(OCC(C)(C)C)nc1.CC(C)c1cccc(OC(C)C(C)C)n1.CC(C)c1cccc(OCC(C)(C)C)n1.CC(C)c1ccccc1.CCC(CC)Oc1ccc(C(C)C)nc1.CCC(CC)Oc1cccc(C(C)C)n1.CCN(CC)c1cccc(C(C)C)n1.CCOc1ccc(C(C)C)c(C)c1.COc1cc(C)c(C(C)C)cc1C.COc1ccc(C)c(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1
• InChI: InChI=1S/7C13H21NO.2C12H20N2.C12H19NO.2C12H18O.C11H17NO.C11H16O.2C11H16.C9H12/c1-10(2)11-6-7-12(14-8-11)15-9-13(3,4)5;1-10(2)11-7-6-8-12(14-11)15-9-13(3,4)5;1-9(2)11(5)15-13-8-6-7-12(14-13)10(3)4;1-10(2)7-8-15-13-6-5-12(9-14-13)11(3)4;1-10(2)8-9-15-13-7-5-6-12(14-13)11(3)4;1-5-11(6-2)15-12-7-8-13(10(3)4)14-9-12;1-5-11(6-2)15-13-9-7-8-12(14-13)10(3)4;1-9(2)8-13-12-7-5-6-11(14-12)10(3)4;1-5-14(6-2)12-9-7-8-11(13-12)10(3)4;1-9(2)8-14-12-7-5-6-11(13-12)10(3)4;1-8(2)11-6-10(4)12(13-5)7-9(11)3;1-5-13-11-6-7-12(9(2)3)10(4)8-11;1-8(2)10-6-5-7-11(12-10)13-9(3)4;1-8(2)11-7-10(12-4)6-5-9(11)3;2*1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)9-6-4-3-5-7-9/h2*6-8,10H,9H2,1-5H3;6-11H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;2*7-11H,5-6H2,1-4H3;5-7,9-10H,8H2,1-4H3,(H,13,14);7-10H,5-6H2,1-4H3;5-7,9-10H,8H2,1-4H3;6-8H,1-5H3;6-9H,5H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;3-8H,1-2H3
• InChIKey: NPLGIPYAJAYCNP-UHFFFAOYSA-N
• XLogP: 57.99
• TPSA: 267.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 55
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3145.87
LogP ≤ 5	57.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine?

The IUPAC name of cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine (CID 159847096) is cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine.

What is the SMILES notation for cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine?

The canonical SMILES for cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine is CC(C)CCOc1ccc(C(C)C)cn1.CC(C)CCOc1cccc(C(C)C)n1.CC(C)CNc1cccc(C(C)C)n1.CC(C)COc1cccc(C(C)C)n1.CC(C)Oc1cccc(C(C)C)n1.CC(C)c1ccc(OCC(C)(C)C)nc1.CC(C)c1cccc(OC(C)C(C)C)n1.CC(C)c1cccc(OCC(C)(C)C)n1.CC(C)c1ccccc1.CCC(CC)Oc1ccc(C(C)C)nc1.CCC(CC)Oc1cccc(C(C)C)n1.CCN(CC)c1cccc(C(C)C)n1.CCOc1ccc(C(C)C)c(C)c1.COc1cc(C)c(C(C)C)cc1C.COc1ccc(C)c(C(C)C)c1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)c1.

What is the InChIKey of cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine?

The InChIKey is NPLGIPYAJAYCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/7C13H21NO.2C12H20N2.C12H19NO.2C12H18O.C11H17NO.C11H16O.2C11H16.C9H12/c1-10(2)11-6-7-12(14-8-11)15-9-13(3,4)5;1-10(2)11-7-6-8-12(14-11)15-9-13(3,4)5;1-9(2)11(5)15-13-8-6-7-12(14-13)10(3)4;1-10(2)7-8-15-13-6-5-12(9-14-13)11(3)4;1-10(2)8-9-15-13-7-5-6-12(14-13)11(3)4;1-5-11(6-2)15-12-7-8-13(10(3)4)14-9-12;1-5-11(6-2)15-13-9-7-8-12(14-13)10(3)4;1-9(2)8-13-12-7-5-6-11(14-12)10(3)4;1-5-14(6-2)12-9-7-8-11(13-12)10(3)4;1-9(2)8-14-12-7-5-6-11(13-12)10(3)4;1-8(2)11-6-10(4)12(13-5)7-9(11)3;1-5-13-11-6-7-12(9(2)3)10(4)8-11;1-8(2)10-6-5-7-11(12-10)13-9(3)4;1-8(2)11-7-10(12-4)6-5-9(11)3;2*1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)9-6-4-3-5-7-9/h2*6-8,10H,9H2,1-5H3;6-11H,1-5H3;5-6,9-11H,7-8H2,1-4H3;5-7,10-11H,8-9H2,1-4H3;2*7-11H,5-6H2,1-4H3;5-7,9-10H,8H2,1-4H3,(H,13,14);7-10H,5-6H2,1-4H3;5-7,9-10H,8H2,1-4H3;6-8H,1-5H3;6-9H,5H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;3-8H,1-2H3.

What are the key properties of cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine?

cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine has a molecular weight of 3145.87 g/mol, XLogP of 57.99, 55 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine is sourced from PubChem (CID 159847096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).