2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium

C15H20N2+2 — CID 91326704

IUPAC2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium
SMILESCc1ccc[n+](CCc2cc[n+](C)cc2)c1C
InChIInChI=1S/C15H20N2/c1-13-5-4-9-17(14(13)2)12-8-15-6-10-16(3)11-7-15/h4-7,9-11H,8,12H2,1-3H3/q+2
InChIKeyRXVNKYZRCHXYQF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.66
Rot. Bonds3

About 2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium

2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium (PubChem CID 91326704) has the molecular formula C15H20N2+2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium.

Molecular Properties

Compound Name2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium
PubChem CID91326704
Molecular FormulaC15H20N2+2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium
SMILESCc1ccc[n+](CCc2cc[n+](C)cc2)c1C
InChIInChI=1S/C15H20N2/c1-13-5-4-9-17(14(13)2)12-8-15-6-10-16(3)11-7-15/h4-7,9-11H,8,12H2,1-3H3/q+2
InChIKeyRXVNKYZRCHXYQF-UHFFFAOYSA-N
XLogP1.66
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-1-octylpyridin-1-ium bromide
CID 46210877
2,3-dimethyl-1-octylpyridin-1-ium;hexafluoroantimony(1-)
CID 159998256
4-butyl-1-methylpyridin-1-ium fluoride
CID 171569947
1,2,3-trimethylpyridin-1-ium;hydrobromide
CID 18985420
bis(2,3-dimethyl-1-oxidopyridin-1-ium);hydrate
CID 174558723
1-methyl-4-[1-(2-phenylethyl)pyridin-1-ium-4-yl]pyridin-1-ium ditetrafluoroborate
CID 11525231
2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 8827810
4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium
CID 71463436
1-methyl-4-pent-4-enylpyridin-1-ium
CID 59152861
4-[[3,5-bis[(1-methylpyridin-1-ium-4-yl)methyl]phenyl]methyl]-1-methylpyridin-1-ium
CID 58964020
(1-methylpyridin-1-ium-4-yl)methanamine iodide
CID 91902593
3-(1-methylpyridin-1-ium-4-yl)propanamide iodide
CID 44887403

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium?
The IUPAC name of 2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium (CID 91326704) is 2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium.
What is the SMILES notation for 2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium?
The canonical SMILES for 2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium is Cc1ccc[n+](CCc2cc[n+](C)cc2)c1C.
What is the InChIKey of 2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium?
The InChIKey is RXVNKYZRCHXYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-13-5-4-9-17(14(13)2)12-8-15-6-10-16(3)11-7-15/h4-7,9-11H,8,12H2,1-3H3/q+2.
What are the key properties of 2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium?
2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium has a molecular weight of 228.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[2-(1-methylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium is sourced from PubChem (CID 91326704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).