2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine

C203H304FN14O4+ — CID 158662079

About 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine

2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine (PubChem CID 158662079) has the molecular formula C203H304FN14O4+ and a molecular weight of 3023.76 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine
• PubChem CID: 158662079
• Molecular Formula: C203H304FN14O4+
• Molecular Weight: 3023.76 g/mol
• Exact Mass: 3021.40
• IUPAC Name: 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine
• SMILES: C.C.C.C.C/N=C(\N)c1cccc(C(C)C)c1.CC(C)Cc1ccccc1.CC(C)Cc1ccncc1.CC(C)c1ccc[n+](C)c1.CC(C)c1cccc(C(=O)NCCN(C)C)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)C)c1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F
• InChI: InChI=1S/C14H22N2O.C12H19N.C11H16N2.C11H17N.C11H16O.C10H13F.C10H14O.4C10H14.C9H13NO.4C9H13N.C9H14N.C9H13N.C9H12.C8H11N.4CH4/c1-11(2)12-6-5-7-13(10-12)14(17)15-8-9-16(3)4;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-5-6-11(12-4)9(3)7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-4-6-10(11-3)7-5-9;3*1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-4-5-9(11-3)10-6-8;4*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;;;;/h5-7,10-11H,8-9H2,1-4H3,(H,15,17);6-9H,1-5H3;4-8H,1-3H3,(H2,12,13);5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;3-7,9H,8H2,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;4-8H,1-3H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4*1H4/q;;;;;;;;;;;;;;;;+1
• InChIKey: ICWMYKCIRUIMBG-UHFFFAOYSA-N
• XLogP: 56.26
• TPSA: 218.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 31
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3023.76
LogP ≤ 5	56.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine?

The IUPAC name of 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine (CID 158662079) is 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine.

What is the SMILES notation for 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine?

The canonical SMILES for 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine is C.C.C.C.C/N=C(\N)c1cccc(C(C)C)c1.CC(C)Cc1ccccc1.CC(C)Cc1ccncc1.CC(C)c1ccc[n+](C)c1.CC(C)c1cccc(C(=O)NCCN(C)C)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)C)c1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.

What is the InChIKey of 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine?

The InChIKey is ICWMYKCIRUIMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C12H19N.C11H16N2.C11H17N.C11H16O.C10H13F.C10H14O.4C10H14.C9H13NO.4C9H13N.C9H14N.C9H13N.C9H12.C8H11N.4CH4/c1-11(2)12-6-5-7-13(10-12)14(17)15-8-9-16(3)4;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-5-6-11(12-4)9(3)7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-4-6-10(11-3)7-5-9;3*1-8(2)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-4-5-9(11-3)10-6-8;4*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)7-9-3-5-10-6-4-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;;;;/h5-7,10-11H,8-9H2,1-4H3,(H,15,17);6-9H,1-5H3;4-8H,1-3H3,(H2,12,13);5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;3*4-8H,1-3H3;3-7,9H,8H2,1-2H3;4-7H,1-3H3;4*4-7H,1-3H3;4-8H,1-3H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;4*1H4/q;;;;;;;;;;;;;;;;+1;;;;;;;.

What are the key properties of 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine?

2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine has a molecular weight of 3023.76 g/mol, XLogP of 56.26, 31 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-propan-2-ylpyridine;cumene;N-[2-(dimethylamino)ethyl]-3-propan-2-ylbenzamide;2,4-di(propan-2-yl)pyridine;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;tris(1-methyl-4-propan-2-ylbenzene);N'-methyl-3-propan-2-ylbenzenecarboximidamide;tetrakis(2-methyl-4-propan-2-ylpyridine);1-methyl-3-propan-2-ylpyridin-1-ium;2-methylpropylbenzene;4-(2-methylpropyl)pyridine;3-propan-2-ylpyridine is sourced from PubChem (CID 158662079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).