1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium

C183H312N12O4+12 — CID 159067643

About 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium

1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium (PubChem CID 159067643) has the molecular formula C183H312N12O4+12 and a molecular weight of 2744.59 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium.

Molecular Properties

• Compound Name: 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium
• PubChem CID: 159067643
• Molecular Formula: C183H312N12O4+12
• Molecular Weight: 2744.59 g/mol
• Exact Mass: 2742.45
• IUPAC Name: 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium
• SMILES: CC(C)C1CCC(CC2CCCCC2)CC1.CC(C)C1CCC(C[N+]2(C)CCCCC2)CC1.CC(C)C1CCC(C[NH+]2CCCCC2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)CC[N+]1(C)CCCCC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)c1ccc(CC2CCCCC2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1
• InChI: InChI=1S/C16H32N.C16H30.C16H24.C15H24N.C15H18N.C14H27N.C14H22N.C13H22NO.C13H16NO.C12H20NO.C11H24N.C10H21N.C10H16N.C8H14NO/c1-14(2)16-9-7-15(8-10-16)13-17(3)11-5-4-6-12-17;2*1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;2*1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;2*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-11(2)7-10-12(3)8-5-4-6-9-12;2*1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)3-4-9-5-6-10-7-9/h14-16H,4-13H2,1-3H3;13-16H,3-12H2,1-2H3;8-11,13-14H,3-7,12H2,1-2H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;12-14H,3-11H2,1-2H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;11H,4-10H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;5-8H,3-4H2,1-2H3/q+1;;;2*+1;;5*+1;;2*+1/p+2
• InChIKey: JZGLNURIISTFPK-UHFFFAOYSA-P
• XLogP: 41.99
• TPSA: 92.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 42
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2744.59
LogP ≤ 5	41.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?

The IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium (CID 159067643) is 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium.

What is the SMILES notation for 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?

The canonical SMILES for 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium is CC(C)C1CCC(CC2CCCCC2)CC1.CC(C)C1CCC(C[N+]2(C)CCCCC2)CC1.CC(C)C1CCC(C[NH+]2CCCCC2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)CC[N+]1(C)CCCCC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)c1ccc(CC2CCCCC2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.

What is the InChIKey of 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?

The InChIKey is JZGLNURIISTFPK-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H32N.C16H30.C16H24.C15H24N.C15H18N.C14H27N.C14H22N.C13H22NO.C13H16NO.C12H20NO.C11H24N.C10H21N.C10H16N.C8H14NO/c1-14(2)16-9-7-15(8-10-16)13-17(3)11-5-4-6-12-17;2*1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;2*1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;2*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-11(2)7-10-12(3)8-5-4-6-9-12;2*1-10(2)6-9-11-7-4-3-5-8-11;1-8(2)3-4-9-5-6-10-7-9/h14-16H,4-13H2,1-3H3;13-16H,3-12H2,1-2H3;8-11,13-14H,3-7,12H2,1-2H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;12-14H,3-11H2,1-2H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;11H,4-10H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;5-8H,3-4H2,1-2H3/q+1;;;2*+1;;5*+1;;2*+1/p+2.

What are the key properties of 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium?

1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium has a molecular weight of 2744.59 g/mol, XLogP of 41.99, 42 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-methyl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]piperidin-1-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium is sourced from PubChem (CID 159067643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).