1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium

C12H20N+ — CID 162291945

IUPAC1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium
SMILESCC[n+]1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C12H20N/c1-7-13-11(5)9(3)8(2)10(4)12(13)6/h7H2,1-6H3/q+1
InChIKeyMVLVGJSBAPLKQO-UHFFFAOYSA-N
MW178.30 g/mol
LogP2.54
Rot. Bonds1

About 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium

1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium (PubChem CID 162291945) has the molecular formula C12H20N+ and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium.

Molecular Properties

Compound Name1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium
PubChem CID162291945
Molecular FormulaC12H20N+
Molecular Weight178.30 g/mol
Exact Mass178.16
IUPAC Name1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium
SMILESCC[n+]1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C12H20N/c1-7-13-11(5)9(3)8(2)10(4)12(13)6/h7H2,1-6H3/q+1
InChIKeyMVLVGJSBAPLKQO-UHFFFAOYSA-N
XLogP2.54
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium
CID 159545939
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
3-ethyl-2,4,5-trimethyl-1H-imidazol-3-ium chloride
CID 160819911
azane;1-ethyl-2,4,6-trimethylpyridin-1-ium
CID 68931316
10-ethyl-9-methylacridin-10-ium iodide
CID 172827370
2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium
CID 14318011
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
3-ethyl-2,5,6-trimethylthieno[2,3-d][1,3]thiazol-3-ium
CID 947996
ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527
bis(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-sulfanyl-sulfanylidene-λ5-phosphane
CID 132942760
boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
CID 134902011

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium?
The IUPAC name of 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium (CID 162291945) is 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium.
What is the SMILES notation for 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium?
The canonical SMILES for 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium is CC[n+]1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium?
The InChIKey is MVLVGJSBAPLKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N/c1-7-13-11(5)9(3)8(2)10(4)12(13)6/h7H2,1-6H3/q+1.
What are the key properties of 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium?
1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium has a molecular weight of 178.30 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,5,6-pentamethylpyridin-1-ium is sourced from PubChem (CID 162291945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).