4-pentadecyl-1-propylpyridin-1-ium

C23H42N+ — CID 69392060

IUPAC4-pentadecyl-1-propylpyridin-1-ium
SMILESCCCCCCCCCCCCCCCc1cc[n+](CCC)cc1
InChIInChI=1S/C23H42N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-21-24(20-4-2)22-19-23/h18-19,21-22H,3-17,20H2,1-2H3/q+1
InChIKeyWRPZJBBGOVBCLZ-UHFFFAOYSA-N
MW332.60 g/mol
LogP7.02
Rot. Bonds16

About 4-pentadecyl-1-propylpyridin-1-ium

4-pentadecyl-1-propylpyridin-1-ium (PubChem CID 69392060) has the molecular formula C23H42N+ and a molecular weight of 332.60 g/mol. Its IUPAC name is 4-pentadecyl-1-propylpyridin-1-ium.

Molecular Properties

Compound Name4-pentadecyl-1-propylpyridin-1-ium
PubChem CID69392060
Molecular FormulaC23H42N+
Molecular Weight332.60 g/mol
Exact Mass332.33
IUPAC Name4-pentadecyl-1-propylpyridin-1-ium
SMILESCCCCCCCCCCCCCCCc1cc[n+](CCC)cc1
InChIInChI=1S/C23H42N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-21-24(20-4-2)22-19-23/h18-19,21-22H,3-17,20H2,1-2H3/q+1
InChIKeyWRPZJBBGOVBCLZ-UHFFFAOYSA-N
XLogP7.02
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.60
LogP ≤ 57.02
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'}

Analyze 4-pentadecyl-1-propylpyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-decyl-4-tridecylpyridin-1-ium chloride
CID 11362636
1-butyl-4-pentylpyridin-1-ium
CID 69385762

Frequently Asked Questions

What is the IUPAC name of 4-pentadecyl-1-propylpyridin-1-ium?
The IUPAC name of 4-pentadecyl-1-propylpyridin-1-ium (CID 69392060) is 4-pentadecyl-1-propylpyridin-1-ium.
What is the SMILES notation for 4-pentadecyl-1-propylpyridin-1-ium?
The canonical SMILES for 4-pentadecyl-1-propylpyridin-1-ium is CCCCCCCCCCCCCCCc1cc[n+](CCC)cc1.
What is the InChIKey of 4-pentadecyl-1-propylpyridin-1-ium?
The InChIKey is WRPZJBBGOVBCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-21-24(20-4-2)22-19-23/h18-19,21-22H,3-17,20H2,1-2H3/q+1.
What are the key properties of 4-pentadecyl-1-propylpyridin-1-ium?
4-pentadecyl-1-propylpyridin-1-ium has a molecular weight of 332.60 g/mol, XLogP of 7.02, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentadecyl-1-propylpyridin-1-ium is sourced from PubChem (CID 69392060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).