1-dodecylpyridin-1-ium chloride

C17H30ClN — CID 7717

IUPAC1-dodecylpyridin-1-ium chloride
SMILESCCCCCCCCCCCC[n+]1ccccc1.[Cl-]
InChIInChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1
InChIKeyGKQHIYSTBXDYNQ-UHFFFAOYSA-M
MW283.89 g/mol
LogP1.90
Rot. Bonds11

About 1-dodecylpyridin-1-ium chloride

1-dodecylpyridin-1-ium chloride (PubChem CID 7717) has the molecular formula C17H30ClN and a molecular weight of 283.89 g/mol. Its IUPAC name is 1-dodecylpyridin-1-ium chloride.

Molecular Properties

Compound Name1-dodecylpyridin-1-ium chloride
PubChem CID7717
Molecular FormulaC17H30ClN
Molecular Weight283.89 g/mol
Exact Mass283.21
IUPAC Name1-dodecylpyridin-1-ium chloride
SMILESCCCCCCCCCCCC[n+]1ccccc1.[Cl-]
InChIInChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1
InChIKeyGKQHIYSTBXDYNQ-UHFFFAOYSA-M
XLogP1.90
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.89
LogP ≤ 51.90
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

Nicotine
CID 89594
Pyridine
CID 1049
Cetylpyridinium Chloride
CID 31239
3-Methylpyridine
CID 7970
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pralidoxime Chloride
CID 135445761
Cetylpyridinium Bromide
CID 8816
2-Methylpyridine
CID 7975
Myosmine
CID 442649
2-Vinylpyridine
CID 7521
Betahistine
CID 2366

Frequently Asked Questions

What is the IUPAC name of 1-dodecylpyridin-1-ium chloride?
The IUPAC name of 1-dodecylpyridin-1-ium chloride (CID 7717) is 1-dodecylpyridin-1-ium chloride.
What is the SMILES notation for 1-dodecylpyridin-1-ium chloride?
The canonical SMILES for 1-dodecylpyridin-1-ium chloride is CCCCCCCCCCCC[n+]1ccccc1.[Cl-].
What is the InChIKey of 1-dodecylpyridin-1-ium chloride?
The InChIKey is GKQHIYSTBXDYNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-dodecylpyridin-1-ium chloride?
1-dodecylpyridin-1-ium chloride has a molecular weight of 283.89 g/mol, XLogP of 1.90, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylpyridin-1-ium chloride is sourced from PubChem (CID 7717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).