2-methyl-1-propylpyridin-1-ium

C9H14N+ — CID 3808515

IUPAC2-methyl-1-propylpyridin-1-ium
SMILESCCC[n+]1ccccc1C
InChIInChI=1S/C9H14N/c1-3-7-10-8-5-4-6-9(10)2/h4-6,8H,3,7H2,1-2H3/q+1
InChIKeyZLDXKKLJACLTIN-UHFFFAOYSA-N
MW136.22 g/mol
LogP1.69
Rot. Bonds2

About 2-methyl-1-propylpyridin-1-ium

2-methyl-1-propylpyridin-1-ium (PubChem CID 3808515) has the molecular formula C9H14N+ and a molecular weight of 136.22 g/mol. Its IUPAC name is 2-methyl-1-propylpyridin-1-ium.

Molecular Properties

Compound Name2-methyl-1-propylpyridin-1-ium
PubChem CID3808515
Molecular FormulaC9H14N+
Molecular Weight136.22 g/mol
Exact Mass136.11
IUPAC Name2-methyl-1-propylpyridin-1-ium
SMILESCCC[n+]1ccccc1C
InChIInChI=1S/C9H14N/c1-3-7-10-8-5-4-6-9(10)2/h4-6,8H,3,7H2,1-2H3/q+1
InChIKeyZLDXKKLJACLTIN-UHFFFAOYSA-N
XLogP1.69
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methyl-1-propylpyridin-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-butyl-2-methylpyridin-1-ium
CID 13240378
bis(1-butyl-2-methylpyridin-1-ium) dichloride
CID 172861253
2-methyl-1-[3-(2-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium dibromide
CID 12598864
2-methyl-1-[8-(2-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 11455659
2-methyl-1-[2-(propyldisulfanyl)ethyl]pyridin-1-ium
CID 89468140
methanesulfonic acid;2-methyl-1-pentylpyridin-1-ium
CID 175583407
2-methyl-1-[2-[2-[2-[2-(2-methylpyridin-1-ium-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyridin-1-ium dichloride
CID 24742087
1-heptyl-2-methylpyridin-1-ium;methanesulfonate
CID 171569976
2-methoxy-1-propylpyridin-1-ium
CID 175412660
2-methyl-1-[5-(2-methylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium;bis(tetraphenylboranuide)
CID 88512078
bis(bis(trifluoromethylsulfonyl)azanide);bis(1-butyl-2-methylpyridin-1-ium)
CID 158229304
1-benzyl-2-methylpyridin-1-ium;hydroiodide
CID 126958075

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propylpyridin-1-ium?
The IUPAC name of 2-methyl-1-propylpyridin-1-ium (CID 3808515) is 2-methyl-1-propylpyridin-1-ium.
What is the SMILES notation for 2-methyl-1-propylpyridin-1-ium?
The canonical SMILES for 2-methyl-1-propylpyridin-1-ium is CCC[n+]1ccccc1C.
What is the InChIKey of 2-methyl-1-propylpyridin-1-ium?
The InChIKey is ZLDXKKLJACLTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N/c1-3-7-10-8-5-4-6-9(10)2/h4-6,8H,3,7H2,1-2H3/q+1.
What are the key properties of 2-methyl-1-propylpyridin-1-ium?
2-methyl-1-propylpyridin-1-ium has a molecular weight of 136.22 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylpyridin-1-ium is sourced from PubChem (CID 3808515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).