1-dodecyl-2-ethylpyridin-1-ium

C19H34N+ — CID 57483554

IUPAC1-dodecyl-2-ethylpyridin-1-ium
SMILESCCCCCCCCCCCC[n+]1ccccc1CC
InChIInChI=1S/C19H34N/c1-3-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19(20)4-2/h13,15-16,18H,3-12,14,17H2,1-2H3/q+1
InChIKeyUAGDLNCPPXLUJE-UHFFFAOYSA-N
MW276.49 g/mol
LogP5.46
Rot. Bonds12

About 1-dodecyl-2-ethylpyridin-1-ium

1-dodecyl-2-ethylpyridin-1-ium (PubChem CID 57483554) has the molecular formula C19H34N+ and a molecular weight of 276.49 g/mol. Its IUPAC name is 1-dodecyl-2-ethylpyridin-1-ium.

Molecular Properties

Compound Name1-dodecyl-2-ethylpyridin-1-ium
PubChem CID57483554
Molecular FormulaC19H34N+
Molecular Weight276.49 g/mol
Exact Mass276.27
IUPAC Name1-dodecyl-2-ethylpyridin-1-ium
SMILESCCCCCCCCCCCC[n+]1ccccc1CC
InChIInChI=1S/C19H34N/c1-3-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19(20)4-2/h13,15-16,18H,3-12,14,17H2,1-2H3/q+1
InChIKeyUAGDLNCPPXLUJE-UHFFFAOYSA-N
XLogP5.46
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.49
LogP ≤ 55.46
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

2-ethyl-1-hexylpyridin-1-ium fluoride
CID 171571226
1-decyl-2-ethylpyridin-1-ium cyanide
CID 171570055
2-ethyl-1-hexylpyridin-1-ium acetate
CID 171570105
2-ethyl-1-undecylpyridin-1-ium;methanesulfonate
CID 171570336
2-ethyl-1-heptylpyridin-1-ium;methanesulfonate
CID 171569882
2-hexadecyl-1-[10-(2-hexadecylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
CID 101475531
1-butyl-2-ethylpyridin-1-ium cyanide
CID 171571156
2-octyl-1-[8-(2-octylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 102323866
2-butyl-1-dodecylpyridin-1-ium
CID 171570143
2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
CID 24865578
1-heptyl-2-propylpyridin-1-ium fluoride
CID 171570135
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-ethylpyridin-1-ium?
The IUPAC name of 1-dodecyl-2-ethylpyridin-1-ium (CID 57483554) is 1-dodecyl-2-ethylpyridin-1-ium.
What is the SMILES notation for 1-dodecyl-2-ethylpyridin-1-ium?
The canonical SMILES for 1-dodecyl-2-ethylpyridin-1-ium is CCCCCCCCCCCC[n+]1ccccc1CC.
What is the InChIKey of 1-dodecyl-2-ethylpyridin-1-ium?
The InChIKey is UAGDLNCPPXLUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N/c1-3-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19(20)4-2/h13,15-16,18H,3-12,14,17H2,1-2H3/q+1.
What are the key properties of 1-dodecyl-2-ethylpyridin-1-ium?
1-dodecyl-2-ethylpyridin-1-ium has a molecular weight of 276.49 g/mol, XLogP of 5.46, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-ethylpyridin-1-ium is sourced from PubChem (CID 57483554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).