1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium

C18H30N+ — CID 59218339

IUPAC1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium
SMILESCCCCCC[n+]1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/C18H30N/c1-3-4-5-6-13-19-14-11-18(12-15-19)17-9-7-16(2)8-10-17/h11-12,14-17H,3-10,13H2,1-2H3/q+1
InChIKeyYTHWHJQRGXNLBL-UHFFFAOYSA-N
MW260.44 g/mol
LogP4.85
Rot. Bonds6

About 1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium

1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium (PubChem CID 59218339) has the molecular formula C18H30N+ and a molecular weight of 260.44 g/mol. Its IUPAC name is 1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium.

Molecular Properties

Compound Name1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium
PubChem CID59218339
Molecular FormulaC18H30N+
Molecular Weight260.44 g/mol
Exact Mass260.24
IUPAC Name1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium
SMILESCCCCCC[n+]1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/C18H30N/c1-3-4-5-6-13-19-14-11-18(12-15-19)17-9-7-16(2)8-10-17/h11-12,14-17H,3-10,13H2,1-2H3/q+1
InChIKeyYTHWHJQRGXNLBL-UHFFFAOYSA-N
XLogP4.85
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-4-[3-(1-octylpyridin-1-ium-4-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]pyridin-1-ium
CID 86294160
1-dodecyl-4-[3-(1-dodecylpyridin-1-ium-4-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]pyridin-1-ium
CID 86294343
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-tetradecyl-4-[1-[4-[4-(1-tetradecylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102224171
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-butyl-4-(1-octadecylpyridin-1-ium-4-yl)pyridin-1-ium
CID 70694251
1-dodecyl-4-(1-dodecylpyridin-1-ium-4-yl)pyridin-1-ium bromide
CID 54607465
1-butyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium
CID 102190926
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
1-decylpyridin-1-ium-4-amine bromide
CID 44656372
4-methyl-1-nonylpyridin-1-ium hexafluorophosphate
CID 158312080

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium?
The IUPAC name of 1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium (CID 59218339) is 1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium.
What is the SMILES notation for 1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium?
The canonical SMILES for 1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium is CCCCCC[n+]1ccc(C2CCC(C)CC2)cc1.
What is the InChIKey of 1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium?
The InChIKey is YTHWHJQRGXNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N/c1-3-4-5-6-13-19-14-11-18(12-15-19)17-9-7-16(2)8-10-17/h11-12,14-17H,3-10,13H2,1-2H3/q+1.
What are the key properties of 1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium?
1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium has a molecular weight of 260.44 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(4-methylcyclohexyl)pyridin-1-ium is sourced from PubChem (CID 59218339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).