5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium

C23H30N+ — CID 167365718

IUPAC5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
SMILESCc1ccc(C2CCCC2)cc1-c1ccc(C2CCCC2)c[n+]1C
InChIInChI=1S/C23H30N/c1-17-11-12-20(18-7-3-4-8-18)15-22(17)23-14-13-21(16-24(23)2)19-9-5-6-10-19/h11-16,18-19H,3-10H2,1-2H3/q+1
InChIKeyMPEPTGKEYLJRCV-UHFFFAOYSA-N
MW320.50 g/mol
LogP5.80
Rot. Bonds3

About 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium

5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium (PubChem CID 167365718) has the molecular formula C23H30N+ and a molecular weight of 320.50 g/mol. Its IUPAC name is 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
PubChem CID167365718
Molecular FormulaC23H30N+
Molecular Weight320.50 g/mol
Exact Mass320.24
IUPAC Name5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
SMILESCc1ccc(C2CCCC2)cc1-c1ccc(C2CCCC2)c[n+]1C
InChIInChI=1S/C23H30N/c1-17-11-12-20(18-7-3-4-8-18)15-22(17)23-14-13-21(16-24(23)2)19-9-5-6-10-19/h11-16,18-19H,3-10H2,1-2H3/q+1
InChIKeyMPEPTGKEYLJRCV-UHFFFAOYSA-N
XLogP5.80
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(5-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium
CID 167365538
5-(1-deuteriocyclohexyl)-2-[5-(1-deuteriocyclohexyl)-2-methylphenyl]-1-methylpyridin-1-ium
CID 167365566
5-cyclohexyl-2-(2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 156621814
5-cyclopentyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
CID 167357792
5-cyclohexyl-1-methyl-2-[2-methyl-4-(1,4,4-trimethylcyclohexyl)phenyl]pyridin-1-ium
CID 167358019
5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
CID 167358000
2-(4-cyclohexyl-2-methylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium
CID 123552926
[6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 167365158
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylquinolin-1-ium
CID 140920909
6-cyclohexyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170405417
6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155638520
5-(3-cyclohexylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(4-cyclopentylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-[4-(1-deuteriocyclopentyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 159678541

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium?
The IUPAC name of 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium (CID 167365718) is 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium.
What is the SMILES notation for 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium?
The canonical SMILES for 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium is Cc1ccc(C2CCCC2)cc1-c1ccc(C2CCCC2)c[n+]1C.
What is the InChIKey of 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium?
The InChIKey is MPEPTGKEYLJRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N/c1-17-11-12-20(18-7-3-4-8-18)15-22(17)23-14-13-21(16-24(23)2)19-9-5-6-10-19/h11-16,18-19H,3-10H2,1-2H3/q+1.
What are the key properties of 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium?
5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium has a molecular weight of 320.50 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium is sourced from PubChem (CID 167365718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).