3,4-dimethyl-1-octylpyridin-1-ium

C15H26N+ — CID 69395845

IUPAC3,4-dimethyl-1-octylpyridin-1-ium
SMILESCCCCCCCC[n+]1ccc(C)c(C)c1
InChIInChI=1S/C15H26N/c1-4-5-6-7-8-9-11-16-12-10-14(2)15(3)13-16/h10,12-13H,4-9,11H2,1-3H3/q+1
InChIKeyOAMIWDCCWDZURC-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.95
Rot. Bonds7

About 3,4-dimethyl-1-octylpyridin-1-ium

3,4-dimethyl-1-octylpyridin-1-ium (PubChem CID 69395845) has the molecular formula C15H26N+ and a molecular weight of 220.38 g/mol. Its IUPAC name is 3,4-dimethyl-1-octylpyridin-1-ium.

Molecular Properties

Compound Name3,4-dimethyl-1-octylpyridin-1-ium
PubChem CID69395845
Molecular FormulaC15H26N+
Molecular Weight220.38 g/mol
Exact Mass220.21
IUPAC Name3,4-dimethyl-1-octylpyridin-1-ium
SMILESCCCCCCCC[n+]1ccc(C)c(C)c1
InChIInChI=1S/C15H26N/c1-4-5-6-7-8-9-11-16-12-10-14(2)15(3)13-16/h10,12-13H,4-9,11H2,1-3H3/q+1
InChIKeyOAMIWDCCWDZURC-UHFFFAOYSA-N
XLogP3.95
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-1-octadecylpyridin-1-ium bromide
CID 86082407
1-[4-(3,4-dimethylpyridin-1-ium-1-yl)butyl]-3,4-dimethylpyridin-1-ium;tetrahydrobromide
CID 174105893
3,4-dimethyl-1-[5-(4-methylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium
CID 172537315
1-butyl-3,4-dimethylpyridin-1-ium tetrafluoroborate
CID 87942549
1-hexyl-3,4-dioctadecylpyridin-1-ium
CID 69397269
1-pentyl-3,4-di(tridecyl)pyridin-1-ium
CID 69396186
3,4-di(pentadecyl)-1-undecylpyridin-1-ium
CID 69389970
1-heptyl-3,4-di(tetradecyl)pyridin-1-ium
CID 69398053
1-nonadecyl-3,4-di(pentadecyl)pyridin-1-ium
CID 69392749
3,4-di(pentadecyl)-1-pentylpyridin-1-ium
CID 69392745
3,4-dioctyl-1-pentadecylpyridin-1-ium
CID 69391352
1-octadecyl-3,4-di(pentadecyl)pyridin-1-ium
CID 154154908

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-octylpyridin-1-ium?
The IUPAC name of 3,4-dimethyl-1-octylpyridin-1-ium (CID 69395845) is 3,4-dimethyl-1-octylpyridin-1-ium.
What is the SMILES notation for 3,4-dimethyl-1-octylpyridin-1-ium?
The canonical SMILES for 3,4-dimethyl-1-octylpyridin-1-ium is CCCCCCCC[n+]1ccc(C)c(C)c1.
What is the InChIKey of 3,4-dimethyl-1-octylpyridin-1-ium?
The InChIKey is OAMIWDCCWDZURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N/c1-4-5-6-7-8-9-11-16-12-10-14(2)15(3)13-16/h10,12-13H,4-9,11H2,1-3H3/q+1.
What are the key properties of 3,4-dimethyl-1-octylpyridin-1-ium?
3,4-dimethyl-1-octylpyridin-1-ium has a molecular weight of 220.38 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-octylpyridin-1-ium is sourced from PubChem (CID 69395845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).