N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol

C190H251F3N8O4 — CID 158443461

About N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol

N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol (PubChem CID 158443461) has the molecular formula C190H251F3N8O4 and a molecular weight of 2768.14 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol.

Molecular Properties

• Compound Name: N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol
• PubChem CID: 158443461
• Molecular Formula: C190H251F3N8O4
• Molecular Weight: 2768.14 g/mol
• Exact Mass: 2765.96
• IUPAC Name: N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol
• SMILES: CC(=O)c1ccc(C(C)C)cc1.CC(=O)c1cccc(C(C)C)c1.CC(C)C1=CCC(C)(C)CC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2nccn2C)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1cccc(-n2cccn2)c1.CC(C)c1cccc(C(O)C(F)(F)F)c1.CC(C)c1cccc(CC#N)c1.CCc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1
• InChI: InChI=1S/C15H16.C13H16N2.2C12H14N2.C12H17NO.C11H13F3O.C11H13N.2C11H14O.C11H20.C11H16.6C10H14/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-4-6-12(7-5-11)13-14-8-9-15(13)3;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-10(2)11-5-3-6-12(9-11)14-8-4-7-13-14;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;1-9(2)10-5-7-11(3,4)8-6-10;1-4-10-5-7-11(8-6-10)9(2)3;3*1-8(2)10-6-4-9(3)5-7-10;3*1-8(2)10-6-4-5-9(3)7-10/h3-12H,1-2H3;4-10H,1-3H3;2*3-10H,1-2H3;5-9H,1-4H3;3-7,10,15H,1-2H3;3-5,8-9H,6H2,1-2H3;2*4-8H,1-3H3;5,9H,6-8H2,1-4H3;5-9H,4H2,1-3H3;6*4-8H,1-3H3
• InChIKey: HDCGXXTXBZBSMJ-UHFFFAOYSA-N
• XLogP: 54.36
• TPSA: 151.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2768.14
LogP ≤ 5	54.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol?

The IUPAC name of N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol (CID 158443461) is N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol.

What is the SMILES notation for N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol?

The canonical SMILES for N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol is CC(=O)c1ccc(C(C)C)cc1.CC(=O)c1cccc(C(C)C)c1.CC(C)C1=CCC(C)(C)CC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2nccn2C)cc1.CC(C)c1ccc(-n2cccn2)cc1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1cccc(-n2cccn2)c1.CC(C)c1cccc(C(O)C(F)(F)F)c1.CC(C)c1cccc(CC#N)c1.CCc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.

What is the InChIKey of N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol?

The InChIKey is HDCGXXTXBZBSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C13H16N2.2C12H14N2.C12H17NO.C11H13F3O.C11H13N.2C11H14O.C11H20.C11H16.6C10H14/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-4-6-12(7-5-11)13-14-8-9-15(13)3;1-10(2)11-4-6-12(7-5-11)14-9-3-8-13-14;1-10(2)11-5-3-6-12(9-11)14-8-4-7-13-14;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-7(2)8-4-3-5-9(6-8)10(15)11(12,13)14;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-5-4-6-11(7-10)9(3)12;1-9(2)10-5-7-11(3,4)8-6-10;1-4-10-5-7-11(8-6-10)9(2)3;3*1-8(2)10-6-4-9(3)5-7-10;3*1-8(2)10-6-4-5-9(3)7-10/h3-12H,1-2H3;4-10H,1-3H3;2*3-10H,1-2H3;5-9H,1-4H3;3-7,10,15H,1-2H3;3-5,8-9H,6H2,1-2H3;2*4-8H,1-3H3;5,9H,6-8H2,1-4H3;5-9H,4H2,1-3H3;6*4-8H,1-3H3.

What are the key properties of N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol?

N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol has a molecular weight of 2768.14 g/mol, XLogP of 54.36, 27 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-ethyl-4-propan-2-ylbenzene;tris(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 158443461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).