1-ethyl-3-hexylpyridin-1-ium

C13H22N+ — CID 69392569

IUPAC1-ethyl-3-hexylpyridin-1-ium
SMILESCCCCCCc1ccc[n+](CC)c1
InChIInChI=1S/C13H22N/c1-3-5-6-7-9-13-10-8-11-14(4-2)12-13/h8,10-12H,3-7,9H2,1-2H3/q+1
InChIKeyJHTNHPLUFSPHLN-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.12
Rot. Bonds6

About 1-ethyl-3-hexylpyridin-1-ium

1-ethyl-3-hexylpyridin-1-ium (PubChem CID 69392569) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is 1-ethyl-3-hexylpyridin-1-ium.

Molecular Properties

Compound Name1-ethyl-3-hexylpyridin-1-ium
PubChem CID69392569
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Name1-ethyl-3-hexylpyridin-1-ium
SMILESCCCCCCc1ccc[n+](CC)c1
InChIInChI=1S/C13H22N/c1-3-5-6-7-9-13-10-8-11-14(4-2)12-13/h8,10-12H,3-7,9H2,1-2H3/q+1
InChIKeyJHTNHPLUFSPHLN-UHFFFAOYSA-N
XLogP3.12
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.12
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

3-butyl-1-ethylpyridin-1-ium fluoride
CID 171571607
1-hexyl-3-nonadecylpyridin-1-ium
CID 69397538
3-decyl-1-nonylpyridin-1-ium
CID 69391901
1-decyl-3-tetradecylpyridin-1-ium
CID 69387489
3-hexadecyl-1-octadecylpyridin-1-ium
CID 69395043
3-butyl-1-ethylpyridin-1-ium cyanide
CID 171570730
3-octyl-1-undecylpyridin-1-ium
CID 69390098
1-dodecyl-3-heptadecylpyridin-1-ium
CID 69396835
3-nonadecyl-1-tridecylpyridin-1-ium
CID 69393724
1-hexyl-3-tridecylpyridin-1-ium
CID 69392131
1-nonadecyl-3-octylpyridin-1-ium
CID 69390200
1-dodecyl-3-heptylpyridin-1-ium
CID 69392967

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hexylpyridin-1-ium?
The IUPAC name of 1-ethyl-3-hexylpyridin-1-ium (CID 69392569) is 1-ethyl-3-hexylpyridin-1-ium.
What is the SMILES notation for 1-ethyl-3-hexylpyridin-1-ium?
The canonical SMILES for 1-ethyl-3-hexylpyridin-1-ium is CCCCCCc1ccc[n+](CC)c1.
What is the InChIKey of 1-ethyl-3-hexylpyridin-1-ium?
The InChIKey is JHTNHPLUFSPHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N/c1-3-5-6-7-9-13-10-8-11-14(4-2)12-13/h8,10-12H,3-7,9H2,1-2H3/q+1.
What are the key properties of 1-ethyl-3-hexylpyridin-1-ium?
1-ethyl-3-hexylpyridin-1-ium has a molecular weight of 192.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hexylpyridin-1-ium is sourced from PubChem (CID 69392569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).