N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol

C206H271F6N11O8 — CID 161117599

About N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;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-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol (PubChem CID 161117599) has the molecular formula C206H271F6N11O8 and a molecular weight of 3143.49 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;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-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol
• PubChem CID: 161117599
• Molecular Formula: C206H271F6N11O8
• Molecular Weight: 3143.49 g/mol
• Exact Mass: 3141.10
• IUPAC Name: N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol
• SMILES: 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)c1ccc(CC#N)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)cc1.CC(C)c1cccc(-n2cccn2)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C(O)C(F)(F)F)c1.CC(C)c1cccc(CC#N)c1.CC(C)c1cccc(CO)c1.COC(=O)c1ccc(C(C)C)cc1.COC(=O)c1cccc(C(C)C)c1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1
• InChI: InChI=1S/C16H26N2.C15H16.C13H16N2.2C12H14N2.C12H17NO.C11H13F3O.2C11H13N.2C11H14O2.C11H20.C10H11F3.2C10H14O.3C10H14/c1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4;1-12(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)11-5-3-10(4-6-11)7-8-12;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-9(2)10-5-7-11(3,4)8-6-10;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-4-9(6-10)7-11;3*1-8(2)10-6-4-9(3)5-7-10/h5-8,13-14H,9-12H2,1-4H3;3-12H,1-2H3;4-10H,1-3H3;2*3-10H,1-2H3;5-9H,1-4H3;3-7,10,15H,1-2H3;3-6,9H,7H2,1-2H3;3-5,8-9H,6H2,1-2H3;2*4-8H,1-3H3;5,9H,6-8H2,1-4H3;3-7H,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3*4-8H,1-3H3
• InChIKey: UKNFAMSGZRYHMY-UHFFFAOYSA-N
• XLogP: 55.97
• TPSA: 230.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 32
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3143.49
LogP ≤ 5	55.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;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-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol (CID 161117599) is N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;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-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;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-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol is 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)c1ccc(CC#N)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)cc1.CC(C)c1cccc(-n2cccn2)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C(O)C(F)(F)F)c1.CC(C)c1cccc(CC#N)c1.CC(C)c1cccc(CO)c1.COC(=O)c1ccc(C(C)C)cc1.COC(=O)c1cccc(C(C)C)c1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.

What is the InChIKey of N,N-dimethyl-4-propan-2-ylbenzamide;4,4-dimethyl-1-propan-2-ylcyclohexene;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol?

The InChIKey is UKNFAMSGZRYHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.C15H16.C13H16N2.2C12H14N2.C12H17NO.C11H13F3O.2C11H13N.2C11H14O2.C11H20.C10H11F3.2C10H14O.3C10H14/c1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4;1-12(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)11-5-3-10(4-6-11)7-8-12;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-9(2)10-5-7-11(3,4)8-6-10;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-5-3-4-9(6-10)7-11;3*1-8(2)10-6-4-9(3)5-7-10/h5-8,13-14H,9-12H2,1-4H3;3-12H,1-2H3;4-10H,1-3H3;2*3-10H,1-2H3;5-9H,1-4H3;3-7,10,15H,1-2H3;3-6,9H,7H2,1-2H3;3-5,8-9H,6H2,1-2H3;2*4-8H,1-3H3;5,9H,6-8H2,1-4H3;3-7H,1-2H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;3*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-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;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-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol has a molecular weight of 3143.49 g/mol, XLogP of 55.97, 32 rotatable bonds, 2 hydrogen bond donors, and 18 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-methoxy-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);methyl 3-propan-2-ylbenzoate;methyl 4-propan-2-ylbenzoate;1-methyl-2-(4-propan-2-ylphenyl)imidazole;1-phenyl-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylphenyl)acetonitrile;(3-propan-2-ylphenyl)methanol;1-(3-propan-2-ylphenyl)pyrazole;1-(4-propan-2-ylphenyl)pyrazole;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;1-propan-2-yl-3-(trifluoromethyl)benzene;2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 161117599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).