1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium

C14H24N+ — CID 159545939

IUPAC1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium
SMILESCCCc1c(C)c(C)[n+](CC)c(C)c1C
InChIInChI=1S/C14H24N/c1-7-9-14-10(3)12(5)15(8-2)13(6)11(14)4/h7-9H2,1-6H3/q+1
InChIKeyADOJACKFQRAWGS-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.18
Rot. Bonds3

About 1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium

1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium (PubChem CID 159545939) has the molecular formula C14H24N+ and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium.

Molecular Properties

Compound Name1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium
PubChem CID159545939
Molecular FormulaC14H24N+
Molecular Weight206.35 g/mol
Exact Mass206.19
IUPAC Name1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium
SMILESCCCc1c(C)c(C)[n+](CC)c(C)c1C
InChIInChI=1S/C14H24N/c1-7-9-14-10(3)12(5)15(8-2)13(6)11(14)4/h7-9H2,1-6H3/q+1
InChIKeyADOJACKFQRAWGS-UHFFFAOYSA-N
XLogP3.18
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.18
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-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium
CID 162291945
1-ethyl-2-(methoxymethyl)-3,4,5,6-tetramethylpyridin-1-ium;1-ethyl-3-(methoxymethyl)-2,4,5,6-tetramethylpyridin-1-ium;1-ethyl-4-(methoxymethyl)-2,3,5,6-tetramethylpyridin-1-ium
CID 161185161
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
1-fluoro-2,4,5-trimethyl-3-propylbenzene
CID 146341300
5-methyl-2-propylbenzene-1,3-diol
CID 12529753
lithium 1,2,4-trimethyl-3-propylcyclopenta-1,3-diene
CID 172788476
(2,3-dipropylcycloprop-2-en-1-ylidene)-ethyloxidanium
CID 134897827
2,3,4,5-tetramethyl-6-propylpyridine;2,3,5,6-tetramethyl-4-propylpyridine
CID 160753503
1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene
CID 58823326
azane;1-ethyl-2,4,6-trimethylpyridin-1-ium
CID 68931316
ethane;9-methyl-10-propylanthracene
CID 144649779
1,2,3,4,5,6-hexabutylbenzene
CID 12586860

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium?
The IUPAC name of 1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium (CID 159545939) is 1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium.
What is the SMILES notation for 1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium?
The canonical SMILES for 1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium is CCCc1c(C)c(C)[n+](CC)c(C)c1C.
What is the InChIKey of 1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium?
The InChIKey is ADOJACKFQRAWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N/c1-7-9-14-10(3)12(5)15(8-2)13(6)11(14)4/h7-9H2,1-6H3/q+1.
What are the key properties of 1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium?
1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium has a molecular weight of 206.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium is sourced from PubChem (CID 159545939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).