4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium

C23H32N+ — CID 161280158

IUPAC4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium
SMILESCCC(CC)c1ccc(C)c(-c2cc(C3CCCC3)cc[n+]2C)c1
InChIInChI=1S/C23H32N/c1-5-18(6-2)20-12-11-17(3)22(15-20)23-16-21(13-14-24(23)4)19-9-7-8-10-19/h11-16,18-19H,5-10H2,1-4H3/q+1
InChIKeyKEZSPPBRDQJYTP-UHFFFAOYSA-N
MW322.52 g/mol
LogP6.05
Rot. Bonds5

About 4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium

4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium (PubChem CID 161280158) has the molecular formula C23H32N+ and a molecular weight of 322.52 g/mol. Its IUPAC name is 4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium
PubChem CID161280158
Molecular FormulaC23H32N+
Molecular Weight322.52 g/mol
Exact Mass322.25
IUPAC Name4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium
SMILESCCC(CC)c1ccc(C)c(-c2cc(C3CCCC3)cc[n+]2C)c1
InChIInChI=1S/C23H32N/c1-5-18(6-2)20-12-11-17(3)22(15-20)23-16-21(13-14-24(23)4)19-9-7-8-10-19/h11-16,18-19H,5-10H2,1-4H3/q+1
InChIKeyKEZSPPBRDQJYTP-UHFFFAOYSA-N
XLogP6.05
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 56.05
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-cyclopentyl-2-(5-cyclopentyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365718
2-(4-tert-butyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium;2-(4-cyclopentyl-2-methylphenyl)-1,4,5-trimethylpyridin-1-ium;2-[4-(2,2-dimethylpropyl)-2-methylphenyl]-1,4,5-trimethylpyridin-1-ium;1,4,5-trimethyl-2-(2-methyl-4-pentan-3-ylphenyl)pyridin-1-ium
CID 158093565
4-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-cyclopentyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-ethyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium
CID 159268416
2-(5-tert-butyl-2-methylphenyl)-4-(cyclopentylmethyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)-1-methylpyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium;4-(cyclopentylmethyl)-1-methyl-2-(2-methyl-5-propan-2-ylphenyl)pyridin-1-ium
CID 160783579
1-(5-cyclopentyl-2,3-dimethylphenyl)-2,3-dimethyl-6-pentan-3-ylisoquinolin-2-ium
CID 160512883
4-cyclohexyl-1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium;4-cyclopentyl-1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium;4-(2,2-dimethylpropyl)-1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]pyridin-1-ium;1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]-4-(2-methylpropyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-(2-methylphenyl)phenyl]-4-propan-2-ylpyridin-1-ium
CID 157202209
6-butan-2-yl-1-(5-cyclopentyl-2-methylphenyl)-2,3-dimethylisoquinolin-2-ium
CID 159653282
[6-(5-cyclohexyl-2-methylphenyl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium-3-yl]-trimethylsilane
CID 167365158
6-cyclohexyl-1-(5-cyclohexyl-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 155638520
2-(4-cyclohexyl-2-methylphenyl)-1-methyl-5-propan-2-ylpyridin-1-ium
CID 123552926
2-(5-cyclopentyl-2-methylphenyl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium
CID 140920841

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium?
The IUPAC name of 4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium (CID 161280158) is 4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium.
What is the SMILES notation for 4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium?
The canonical SMILES for 4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium is CCC(CC)c1ccc(C)c(-c2cc(C3CCCC3)cc[n+]2C)c1.
What is the InChIKey of 4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium?
The InChIKey is KEZSPPBRDQJYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N/c1-5-18(6-2)20-12-11-17(3)22(15-20)23-16-21(13-14-24(23)4)19-9-7-8-10-19/h11-16,18-19H,5-10H2,1-4H3/q+1.
What are the key properties of 4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium?
4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium has a molecular weight of 322.52 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-methyl-2-(2-methyl-5-pentan-3-ylphenyl)pyridin-1-ium is sourced from PubChem (CID 161280158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).