1-hexadecyl-4-propylpyridin-1-ium

C24H44N+ — CID 69389334

IUPAC1-hexadecyl-4-propylpyridin-1-ium
SMILESCCCCCCCCCCCCCCCC[n+]1ccc(CCC)cc1
InChIInChI=1S/C24H44N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22-19-24(18-4-2)20-23-25/h19-20,22-23H,3-18,21H2,1-2H3/q+1
InChIKeyVZLHENVJSYZVRS-UHFFFAOYSA-N
MW346.62 g/mol
LogP7.41
Rot. Bonds17

About 1-hexadecyl-4-propylpyridin-1-ium

1-hexadecyl-4-propylpyridin-1-ium (PubChem CID 69389334) has the molecular formula C24H44N+ and a molecular weight of 346.62 g/mol. Its IUPAC name is 1-hexadecyl-4-propylpyridin-1-ium.

Molecular Properties

Compound Name1-hexadecyl-4-propylpyridin-1-ium
PubChem CID69389334
Molecular FormulaC24H44N+
Molecular Weight346.62 g/mol
Exact Mass346.35
IUPAC Name1-hexadecyl-4-propylpyridin-1-ium
SMILESCCCCCCCCCCCCCCCC[n+]1ccc(CCC)cc1
InChIInChI=1S/C24H44N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22-19-24(18-4-2)20-23-25/h19-20,22-23H,3-18,21H2,1-2H3/q+1
InChIKeyVZLHENVJSYZVRS-UHFFFAOYSA-N
XLogP7.41
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.62
LogP ≤ 57.41
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-propylpyridin-1-ium
CID 18377811
1-hexyl-4-propylpyridin-1-ium fluoride
CID 171571557
1-nonyl-4-propylpyridin-1-ium fluoride
CID 171569989
1-pentyl-4-propylpyridin-1-ium
CID 69394623
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-heptyl-4-pentadecylpyridin-1-ium
CID 69392456
4-decyl-1-heptylpyridin-1-ium
CID 69386084
4-hexyl-1-pentylpyridin-1-ium
CID 69396587
1-pentadecyl-4-tetradecylpyridin-1-ium
CID 69388055
1-nonyl-4-octylpyridin-1-ium
CID 69390561

Frequently Asked Questions

What is the IUPAC name of 1-hexadecyl-4-propylpyridin-1-ium?
The IUPAC name of 1-hexadecyl-4-propylpyridin-1-ium (CID 69389334) is 1-hexadecyl-4-propylpyridin-1-ium.
What is the SMILES notation for 1-hexadecyl-4-propylpyridin-1-ium?
The canonical SMILES for 1-hexadecyl-4-propylpyridin-1-ium is CCCCCCCCCCCCCCCC[n+]1ccc(CCC)cc1.
What is the InChIKey of 1-hexadecyl-4-propylpyridin-1-ium?
The InChIKey is VZLHENVJSYZVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22-19-24(18-4-2)20-23-25/h19-20,22-23H,3-18,21H2,1-2H3/q+1.
What are the key properties of 1-hexadecyl-4-propylpyridin-1-ium?
1-hexadecyl-4-propylpyridin-1-ium has a molecular weight of 346.62 g/mol, XLogP of 7.41, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-4-propylpyridin-1-ium is sourced from PubChem (CID 69389334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).