1,2-dimethylpyridin-1-ium;ethane;methane

C12H26N+ — CID 161162083

IUPAC1,2-dimethylpyridin-1-ium;ethane;methane
SMILESC.CC.CC.Cc1cccc[n+]1C
InChIInChI=1S/C7H10N.2C2H6.CH4/c1-7-5-3-4-6-8(7)2;2*1-2;/h3-6H,1-2H3;2*1-2H3;1H4/q+1;;;
InChIKeyDXJBAKIEFUHMOW-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.51
Rot. Bonds

About 1,2-dimethylpyridin-1-ium;ethane;methane

1,2-dimethylpyridin-1-ium;ethane;methane (PubChem CID 161162083) has the molecular formula C12H26N+ and a molecular weight of 184.35 g/mol. Its IUPAC name is 1,2-dimethylpyridin-1-ium;ethane;methane.

Molecular Properties

Compound Name1,2-dimethylpyridin-1-ium;ethane;methane
PubChem CID161162083
Molecular FormulaC12H26N+
Molecular Weight184.35 g/mol
Exact Mass184.21
IUPAC Name1,2-dimethylpyridin-1-ium;ethane;methane
SMILESC.CC.CC.Cc1cccc[n+]1C
InChIInChI=1S/C7H10N.2C2H6.CH4/c1-7-5-3-4-6-8(7)2;2*1-2;/h3-6H,1-2H3;2*1-2H3;1H4/q+1;;;
InChIKeyDXJBAKIEFUHMOW-UHFFFAOYSA-N
XLogP3.51
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.51
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

1,2-dimethylpyridin-1-ium;methane
CID 162122842
1,2-dimethylpyridin-1-ium;2,2,2-trifluoroacetate
CID 67299143
ethane;1-hydroxy-2-methylpyridin-1-ium;methane
CID 159708216
ethane;1-hydroxy-2-methylpyridin-1-ium
CID 144937215
2-bromo-1,3-thiazole-4-carboxylic acid;1,2-dimethylpyridin-1-ium;ethane
CID 176696276
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
1-hydroxy-2-methylpyridin-1-ium
CID 3628169
tetrakis(1-methylpyridin-1-ium-2-yl)boranuide
CID 123631550
magnesium;hydride;trimethyl-(1-methylpyridin-1-ium-2-yl)silane;iodide
CID 174896070
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
4-methylquinolizin-5-ium bromide
CID 163564442
1-methyl-2-[3-(1-methylpyridin-1-ium-2-yl)propyl]pyridin-1-ium
CID 58017438

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyridin-1-ium;ethane;methane?
The IUPAC name of 1,2-dimethylpyridin-1-ium;ethane;methane (CID 161162083) is 1,2-dimethylpyridin-1-ium;ethane;methane.
What is the SMILES notation for 1,2-dimethylpyridin-1-ium;ethane;methane?
The canonical SMILES for 1,2-dimethylpyridin-1-ium;ethane;methane is C.CC.CC.Cc1cccc[n+]1C.
What is the InChIKey of 1,2-dimethylpyridin-1-ium;ethane;methane?
The InChIKey is DXJBAKIEFUHMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.2C2H6.CH4/c1-7-5-3-4-6-8(7)2;2*1-2;/h3-6H,1-2H3;2*1-2H3;1H4/q+1;;;.
What are the key properties of 1,2-dimethylpyridin-1-ium;ethane;methane?
1,2-dimethylpyridin-1-ium;ethane;methane has a molecular weight of 184.35 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyridin-1-ium;ethane;methane is sourced from PubChem (CID 161162083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).