(E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide

C11H17IN2 — CID 10852014

IUPAC(E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide
SMILESCC[n+]1ccc(/C=C/N(C)C)cc1.[I-]
InChIInChI=1S/C11H17N2.HI/c1-4-13-9-6-11(7-10-13)5-8-12(2)3;/h5-10H,4H2,1-3H3;1H/q+1;/p-1
InChIKeyQARGFIUZILFKOY-UHFFFAOYSA-M
MW304.18 g/mol
LogP-1.47
Rot. Bonds3

About (E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide

(E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide (PubChem CID 10852014) has the molecular formula C11H17IN2 and a molecular weight of 304.18 g/mol. Its IUPAC name is (E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide.

Molecular Properties

Compound Name(E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide
PubChem CID10852014
Molecular FormulaC11H17IN2
Molecular Weight304.18 g/mol
Exact Mass304.04
IUPAC Name(E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide
SMILESCC[n+]1ccc(/C=C/N(C)C)cc1.[I-]
InChIInChI=1S/C11H17N2.HI/c1-4-13-9-6-11(7-10-13)5-8-12(2)3;/h5-10H,4H2,1-3H3;1H/q+1;/p-1
InChIKeyQARGFIUZILFKOY-UHFFFAOYSA-M
XLogP-1.47
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline
CID 775311
4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline bromide
CID 86156832
(E)-2-(1-benzylpyridin-1-ium-4-yl)-N,N-dimethylethenamine chloride
CID 10754838
1-ethyl-4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 6147233
N,N-diethyl-4-[(1E,3E,5E)-6-(1-ethylpyridin-1-ium-4-yl)hexa-1,3,5-trienyl]aniline
CID 177390544
1-ethyl-4-[2-[10-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]anthracen-9-yl]ethenyl]pyridin-1-ium
CID 171383774
(E)-2-(1-ethylpyridin-1-ium-2-yl)-N,N-dimethylethenamine iodide
CID 10852012
(NE)-N-[(1-ethylpyridin-1-ium-4-yl)methylidene]hydroxylamine iodide
CID 137086779
N,N-didodecyl-4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]aniline iodide
CID 157330184
4-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methyl-N-octadecylaniline
CID 177463261
4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-[3-[3-[4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N-methylanilino]propyldisulfanyl]propyl]-N-methylaniline
CID 76595638
1-ethyl-N,N-dimethylpyridin-1-ium-4-amine chloride
CID 15935242

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide?
The IUPAC name of (E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide (CID 10852014) is (E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide.
What is the SMILES notation for (E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide?
The canonical SMILES for (E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide is CC[n+]1ccc(/C=C/N(C)C)cc1.[I-].
What is the InChIKey of (E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide?
The InChIKey is QARGFIUZILFKOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17N2.HI/c1-4-13-9-6-11(7-10-13)5-8-12(2)3;/h5-10H,4H2,1-3H3;1H/q+1;/p-1.
What are the key properties of (E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide?
(E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide has a molecular weight of 304.18 g/mol, XLogP of -1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-ethylpyridin-1-ium-4-yl)-N,N-dimethylethenamine iodide is sourced from PubChem (CID 10852014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).