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

C134H224N8O+8 — CID 158037512

IUPAC1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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
SMILESCC(C)C1CCC(CC2CCCCC2)CC1.CC(C)C1CCC(C[NH+]2CCCCC2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)CC[N+]1(C)CCCCC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.CC(C)c1ccc(CC2CCCCC2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1
InChIInChI=1S/C16H30.C16H24.C15H24N.C15H18N.C14H27N.C14H22N.C13H16NO.C11H24N.C10H21N.C10H16N/c2*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;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;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/h13-16H,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;3-8,10-11H,9H2,1-2H3;11H,4-10H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3/q;;2*+1;;3*+1;;+1/p+2
InChIKeyFHYBIQBMCUPPFG-UHFFFAOYSA-P
MW1963.32 g/mol
LogP30.63
Rot. Bonds30

About 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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 158037512) has the molecular formula C134H224N8O+8 and a molecular weight of 1963.32 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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 Name1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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 CID158037512
Molecular FormulaC134H224N8O+8
Molecular Weight1963.32 g/mol
Exact Mass1961.77
IUPAC Name1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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
SMILESCC(C)C1CCC(CC2CCCCC2)CC1.CC(C)C1CCC(C[NH+]2CCCCC2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)CC[N+]1(C)CCCCC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.CC(C)c1ccc(CC2CCCCC2)cc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1
InChIInChI=1S/C16H30.C16H24.C15H24N.C15H18N.C14H27N.C14H22N.C13H16NO.C11H24N.C10H21N.C10H16N/c2*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;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;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/h13-16H,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;3-8,10-11H,9H2,1-2H3;11H,4-10H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3/q;;2*+1;;3*+1;;+1/p+2
InChIKeyFHYBIQBMCUPPFG-UHFFFAOYSA-P
XLogP30.63
TPSA41.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001963.32
LogP ≤ 530.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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 158037512) is 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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[NH+]2CCCCC2)C1.CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)CC[N+]1(C)CCCCC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.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;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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 FHYBIQBMCUPPFG-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H30.C16H24.C15H24N.C15H18N.C14H27N.C14H22N.C13H16NO.C11H24N.C10H21N.C10H16N/c2*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;1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;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/h13-16H,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;3-8,10-11H,9H2,1-2H3;11H,4-10H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3/q;;2*+1;;3*+1;;+1/p+2.
What are the key properties of 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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 1963.32 g/mol, XLogP of 30.63, 30 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-propan-2-ylbenzene;1-(cyclohexylmethyl)-4-propan-2-ylcyclohexane;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;1-methyl-1-(3-methylbutyl)piperidin-1-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-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 158037512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).