4-methyl-1-tetradecylpyridin-1-ium chloride

C20H36ClN — CID 17671

IUPAC4-methyl-1-tetradecylpyridin-1-ium chloride
SMILESCCCCCCCCCCCCCC[n+]1ccc(C)cc1.[Cl-]
InChIInChI=1S/C20H36N.ClH/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;1H/q+1;/p-1
InChIKeyZCTSINFCZHUVLI-UHFFFAOYSA-M
MW325.97 g/mol
LogP2.99
Rot. Bonds13

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

4-methyl-1-tetradecylpyridin-1-ium chloride (PubChem CID 17671) has the molecular formula C20H36ClN and a molecular weight of 325.97 g/mol. Its IUPAC name is 4-methyl-1-tetradecylpyridin-1-ium chloride.

Molecular Properties

Compound Name4-methyl-1-tetradecylpyridin-1-ium chloride
PubChem CID17671
Molecular FormulaC20H36ClN
Molecular Weight325.97 g/mol
Exact Mass325.25
IUPAC Name4-methyl-1-tetradecylpyridin-1-ium chloride
SMILESCCCCCCCCCCCCCC[n+]1ccc(C)cc1.[Cl-]
InChIInChI=1S/C20H36N.ClH/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;1H/q+1;/p-1
InChIKeyZCTSINFCZHUVLI-UHFFFAOYSA-M
XLogP2.99
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.97
LogP ≤ 52.99
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 chloride?
The IUPAC name of 4-methyl-1-tetradecylpyridin-1-ium chloride (CID 17671) is 4-methyl-1-tetradecylpyridin-1-ium chloride.
What is the SMILES notation for 4-methyl-1-tetradecylpyridin-1-ium chloride?
The canonical SMILES for 4-methyl-1-tetradecylpyridin-1-ium chloride is CCCCCCCCCCCCCC[n+]1ccc(C)cc1.[Cl-].
What is the InChIKey of 4-methyl-1-tetradecylpyridin-1-ium chloride?
The InChIKey is ZCTSINFCZHUVLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H36N.ClH/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;1H/q+1;/p-1.
What are the key properties of 4-methyl-1-tetradecylpyridin-1-ium chloride?
4-methyl-1-tetradecylpyridin-1-ium chloride has a molecular weight of 325.97 g/mol, XLogP of 2.99, 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 chloride is sourced from PubChem (CID 17671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).