1-butyl-2,4-diethylpyridin-1-ium

C13H22N+ — CID 69232450

IUPAC1-butyl-2,4-diethylpyridin-1-ium
SMILESCCCC[n+]1ccc(CC)cc1CC
InChIInChI=1S/C13H22N/c1-4-7-9-14-10-8-12(5-2)11-13(14)6-3/h8,10-11H,4-7,9H2,1-3H3/q+1
InChIKeyUSBUASGMPNYWBK-UHFFFAOYSA-N
MW192.33 g/mol
LogP2.90
Rot. Bonds5

About 1-butyl-2,4-diethylpyridin-1-ium

1-butyl-2,4-diethylpyridin-1-ium (PubChem CID 69232450) has the molecular formula C13H22N+ and a molecular weight of 192.33 g/mol. Its IUPAC name is 1-butyl-2,4-diethylpyridin-1-ium.

Molecular Properties

Compound Name1-butyl-2,4-diethylpyridin-1-ium
PubChem CID69232450
Molecular FormulaC13H22N+
Molecular Weight192.33 g/mol
Exact Mass192.17
IUPAC Name1-butyl-2,4-diethylpyridin-1-ium
SMILESCCCC[n+]1ccc(CC)cc1CC
InChIInChI=1S/C13H22N/c1-4-7-9-14-10-8-12(5-2)11-13(14)6-3/h8,10-11H,4-7,9H2,1-3H3/q+1
InChIKeyUSBUASGMPNYWBK-UHFFFAOYSA-N
XLogP2.90
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-ethylpyridin-1-ium cyanide
CID 171571156
1-dodecyl-2-ethylpyridin-1-ium
CID 57483554
2-ethyl-1-hexylpyridin-1-ium fluoride
CID 171571226
1-decyl-2-ethylpyridin-1-ium cyanide
CID 171570055
1-butyl-4-ethylpyridin-1-ium;methanesulfonate
CID 171570480
1-butyl-2-propylpyridin-1-ium fluoride
CID 171569920
1,4-diethylbenzene;heptane
CID 175370860
1-butyl-2-hexylpyridin-1-ium
CID 69233068
1-butyl-3-ethylpyridin-1-ium
CID 66672600
1-butyl-4-pentylpyridin-1-ium
CID 69385762
(1-butylpyridin-1-ium-4-yl)methanamine
CID 91902595
2-methyl-1,4-di(undecyl)pyridin-1-ium chloride
CID 71429960

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,4-diethylpyridin-1-ium?
The IUPAC name of 1-butyl-2,4-diethylpyridin-1-ium (CID 69232450) is 1-butyl-2,4-diethylpyridin-1-ium.
What is the SMILES notation for 1-butyl-2,4-diethylpyridin-1-ium?
The canonical SMILES for 1-butyl-2,4-diethylpyridin-1-ium is CCCC[n+]1ccc(CC)cc1CC.
What is the InChIKey of 1-butyl-2,4-diethylpyridin-1-ium?
The InChIKey is USBUASGMPNYWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N/c1-4-7-9-14-10-8-12(5-2)11-13(14)6-3/h8,10-11H,4-7,9H2,1-3H3/q+1.
What are the key properties of 1-butyl-2,4-diethylpyridin-1-ium?
1-butyl-2,4-diethylpyridin-1-ium has a molecular weight of 192.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,4-diethylpyridin-1-ium is sourced from PubChem (CID 69232450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).