4-methyl-1-tetradecylpyridin-1-ium

C20H36N+ — CID 17672

IUPAC4-methyl-1-tetradecylpyridin-1-ium
SMILESCCCCCCCCCCCCCC[n+]1ccc(C)cc1
InChIInChI=1S/C20H36N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21/h15-16,18-19H,3-14,17H2,1-2H3/q+1
InChIKeyJDKRQGOIZPRQRU-UHFFFAOYSA-N
MW290.51 g/mol
LogP5.98
Rot. Bonds13

About 4-methyl-1-tetradecylpyridin-1-ium

4-methyl-1-tetradecylpyridin-1-ium (PubChem CID 17672) has the molecular formula C20H36N+ and a molecular weight of 290.51 g/mol. Its IUPAC name is 4-methyl-1-tetradecylpyridin-1-ium.

Molecular Properties

Compound Name4-methyl-1-tetradecylpyridin-1-ium
PubChem CID17672
Molecular FormulaC20H36N+
Molecular Weight290.51 g/mol
Exact Mass290.28
IUPAC Name4-methyl-1-tetradecylpyridin-1-ium
SMILESCCCCCCCCCCCCCC[n+]1ccc(C)cc1
InChIInChI=1S/C20H36N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21/h15-16,18-19H,3-14,17H2,1-2H3/q+1
InChIKeyJDKRQGOIZPRQRU-UHFFFAOYSA-N
XLogP5.98
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.51
LogP ≤ 55.98
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-tetradecylpyridin-1-ium?
The IUPAC name of 4-methyl-1-tetradecylpyridin-1-ium (CID 17672) is 4-methyl-1-tetradecylpyridin-1-ium.
What is the SMILES notation for 4-methyl-1-tetradecylpyridin-1-ium?
The canonical SMILES for 4-methyl-1-tetradecylpyridin-1-ium is CCCCCCCCCCCCCC[n+]1ccc(C)cc1.
What is the InChIKey of 4-methyl-1-tetradecylpyridin-1-ium?
The InChIKey is JDKRQGOIZPRQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21/h15-16,18-19H,3-14,17H2,1-2H3/q+1.
What are the key properties of 4-methyl-1-tetradecylpyridin-1-ium?
4-methyl-1-tetradecylpyridin-1-ium has a molecular weight of 290.51 g/mol, XLogP of 5.98, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-tetradecylpyridin-1-ium is sourced from PubChem (CID 17672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).