1-[4-(4-butylphenyl)butyl]pyridin-1-ium

C19H26N+ — CID 157420340

IUPAC1-[4-(4-butylphenyl)butyl]pyridin-1-ium
SMILESCCCCc1ccc(CCCC[n+]2ccccc2)cc1
InChIInChI=1S/C19H26N/c1-2-3-9-18-11-13-19(14-12-18)10-5-8-17-20-15-6-4-7-16-20/h4,6-7,11-16H,2-3,5,8-10,17H2,1H3/q+1
InChIKeyQOEBZHFSNMWQEX-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.34
Rot. Bonds8

About 1-[4-(4-butylphenyl)butyl]pyridin-1-ium

1-[4-(4-butylphenyl)butyl]pyridin-1-ium (PubChem CID 157420340) has the molecular formula C19H26N+ and a molecular weight of 268.42 g/mol. Its IUPAC name is 1-[4-(4-butylphenyl)butyl]pyridin-1-ium.

Molecular Properties

Compound Name1-[4-(4-butylphenyl)butyl]pyridin-1-ium
PubChem CID157420340
Molecular FormulaC19H26N+
Molecular Weight268.42 g/mol
Exact Mass268.21
IUPAC Name1-[4-(4-butylphenyl)butyl]pyridin-1-ium
SMILESCCCCc1ccc(CCCC[n+]2ccccc2)cc1
InChIInChI=1S/C19H26N/c1-2-3-9-18-11-13-19(14-12-18)10-5-8-17-20-15-6-4-7-16-20/h4,6-7,11-16H,2-3,5,8-10,17H2,1H3/q+1
InChIKeyQOEBZHFSNMWQEX-UHFFFAOYSA-N
XLogP4.34
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.34
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-docosylpyridin-1-ium;dodecylbenzene
CID 175305615
1-[2-(4-dodecylphenyl)ethyl]pyridin-1-ium
CID 23338438
1-heptyl-4-pentadecylpyridin-1-ium
CID 69392456
4-decyl-1-heptylpyridin-1-ium
CID 69386084
4-hexyl-1-pentylpyridin-1-ium
CID 69396587
1-octadecyl-4-octylpyridin-1-ium
CID 69390260
4-decyl-1-nonadecylpyridin-1-ium
CID 69394028
4-dodecyl-1-pentylpyridin-1-ium
CID 69391900
1-pentadecyl-4-tetradecylpyridin-1-ium
CID 69388055
1-nonyl-4-octylpyridin-1-ium
CID 69390561
1-nonyl-4-octadecylpyridin-1-ium
CID 69394082
1-octadecyl-4-undecylpyridin-1-ium
CID 69394600

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butylphenyl)butyl]pyridin-1-ium?
The IUPAC name of 1-[4-(4-butylphenyl)butyl]pyridin-1-ium (CID 157420340) is 1-[4-(4-butylphenyl)butyl]pyridin-1-ium.
What is the SMILES notation for 1-[4-(4-butylphenyl)butyl]pyridin-1-ium?
The canonical SMILES for 1-[4-(4-butylphenyl)butyl]pyridin-1-ium is CCCCc1ccc(CCCC[n+]2ccccc2)cc1.
What is the InChIKey of 1-[4-(4-butylphenyl)butyl]pyridin-1-ium?
The InChIKey is QOEBZHFSNMWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N/c1-2-3-9-18-11-13-19(14-12-18)10-5-8-17-20-15-6-4-7-16-20/h4,6-7,11-16H,2-3,5,8-10,17H2,1H3/q+1.
What are the key properties of 1-[4-(4-butylphenyl)butyl]pyridin-1-ium?
1-[4-(4-butylphenyl)butyl]pyridin-1-ium has a molecular weight of 268.42 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butylphenyl)butyl]pyridin-1-ium is sourced from PubChem (CID 157420340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).