1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium

C10H16NO+ — CID 58173165

IUPAC1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium
SMILESCOCC[n+]1c(C)cccc1C
InChIInChI=1S/C10H16NO/c1-9-5-4-6-10(2)11(9)7-8-12-3/h4-6H,7-8H2,1-3H3/q+1
InChIKeySDRWOVADVXSRSM-UHFFFAOYSA-N
MW166.24 g/mol
LogP1.24
Rot. Bonds3

About 1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium

1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium (PubChem CID 58173165) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium
PubChem CID58173165
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium
SMILESCOCC[n+]1c(C)cccc1C
InChIInChI=1S/C10H16NO/c1-9-5-4-6-10(2)11(9)7-8-12-3/h4-6H,7-8H2,1-3H3/q+1
InChIKeySDRWOVADVXSRSM-UHFFFAOYSA-N
XLogP1.24
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2,6-dimethylpyridin-1-ium bromide
CID 57350079
1-ethyl-3-(2-methoxyethyl)-2-methylbenzimidazol-3-ium
CID 153467496
2,3-bis(2-methoxyethyl)-1H-benzimidazol-3-ium
CID 141358533
2-[2-(2,6-dimethylpyridin-1-ium-1-yl)ethylsulfanyl]ethoxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 102260847
1-methoxy-2-(2-methoxyethoxy)ethane;1,3-xylene
CID 69199580
1,2-dimethoxyethane;toluene;hydrate
CID 131731093
1-(2-methoxyethyl)pyridin-1-ium chloride
CID 15355439
1,3-dibromo-2-(3-methoxypropyl)benzene
CID 163724839
2-(2-methoxyethyl)benzene-1,3-diol
CID 54168621
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
1-chloro-3-(2,6-dimethylpyridin-1-ium-1-yl)propan-2-ol chloride
CID 19831653
2-methoxyethanamine;toluene
CID 91320732

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium?
The IUPAC name of 1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium (CID 58173165) is 1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium.
What is the SMILES notation for 1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium?
The canonical SMILES for 1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium is COCC[n+]1c(C)cccc1C.
What is the InChIKey of 1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium?
The InChIKey is SDRWOVADVXSRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO/c1-9-5-4-6-10(2)11(9)7-8-12-3/h4-6H,7-8H2,1-3H3/q+1.
What are the key properties of 1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium?
1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium has a molecular weight of 166.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,6-dimethylpyridin-1-ium is sourced from PubChem (CID 58173165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).