1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene

C89H138F3N3 — CID 159122344

About 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene

1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene (PubChem CID 159122344) has the molecular formula C89H138F3N3 and a molecular weight of 1307.10 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene.

Molecular Properties

• Compound Name: 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene
• PubChem CID: 159122344
• Molecular Formula: C89H138F3N3
• Molecular Weight: 1307.10 g/mol
• Exact Mass: 1306.08
• IUPAC Name: 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene
• SMILES: CC(C)C1=CCC(C(F)(F)F)CC1.CC(C)c1ccc(C2CC2)cc1.CC1CCC(C(C)C)CC1.CC1CCN(C(C)C)CC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1
• InChI: InChI=1S/C12H16.C10H15F3.C10H20.3C10H14.C9H19N.2C9H13N/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-7(2)8-3-5-9(6-4-8)10(11,12)13;5*1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9/h3-6,9,12H,7-8H2,1-2H3;3,7,9H,4-6H2,1-2H3;8-10H,4-7H2,1-3H3;3*4-8H,1-3H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3
• InChIKey: KFVVAYBQCKWKMO-UHFFFAOYSA-N
• XLogP: 27.60
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1307.10
LogP ≤ 5	27.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene?

The IUPAC name of 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene (CID 159122344) is 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene.

What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene?

The canonical SMILES for 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene is CC(C)C1=CCC(C(F)(F)F)CC1.CC(C)c1ccc(C2CC2)cc1.CC1CCC(C(C)C)CC1.CC1CCN(C(C)C)CC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.

What is the InChIKey of 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene?

The InChIKey is KFVVAYBQCKWKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C10H15F3.C10H20.3C10H14.C9H19N.2C9H13N/c1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-7(2)8-3-5-9(6-4-8)10(11,12)13;5*1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9/h3-6,9,12H,7-8H2,1-2H3;3,7,9H,4-6H2,1-2H3;8-10H,4-7H2,1-3H3;3*4-8H,1-3H3;8-9H,4-7H2,1-3H3;2*4-7H,1-3H3.

What are the key properties of 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene?

1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene has a molecular weight of 1307.10 g/mol, XLogP of 27.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-4-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylcyclohexane;4-methyl-1-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 159122344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).