1-butyl-2-methylpyridin-1-ium

C10H16N+ — CID 13240378

IUPAC1-butyl-2-methylpyridin-1-ium
SMILESCCCC[n+]1ccccc1C
InChIInChI=1S/C10H16N/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3/q+1
InChIKeyBHIGPVGNEXDQBL-UHFFFAOYSA-N
MW150.25 g/mol
LogP2.08
Rot. Bonds3

About 1-butyl-2-methylpyridin-1-ium

1-butyl-2-methylpyridin-1-ium (PubChem CID 13240378) has the molecular formula C10H16N+ and a molecular weight of 150.25 g/mol. Its IUPAC name is 1-butyl-2-methylpyridin-1-ium.

Molecular Properties

Compound Name1-butyl-2-methylpyridin-1-ium
PubChem CID13240378
Molecular FormulaC10H16N+
Molecular Weight150.25 g/mol
Exact Mass150.13
IUPAC Name1-butyl-2-methylpyridin-1-ium
SMILESCCCC[n+]1ccccc1C
InChIInChI=1S/C10H16N/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3/q+1
InChIKeyBHIGPVGNEXDQBL-UHFFFAOYSA-N
XLogP2.08
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 52.08
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

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-propylpyridin-1-ium
CID 3808515
2-methyl-1-[8-(2-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 11455659
methanesulfonic acid;2-methyl-1-pentylpyridin-1-ium
CID 175583407
1-heptyl-2-methylpyridin-1-ium;methanesulfonate
CID 171569976
bis(bis(trifluoromethylsulfonyl)azanide);bis(1-butyl-2-methylpyridin-1-ium)
CID 158229304
2-methyl-1-[5-(2-methylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium;bis(tetraphenylboranuide)
CID 88512078
2-bromo-1-butylpyridin-1-ium
CID 139697459
1-butyl-2-chloropyridin-1-ium
CID 139697433
2-methyl-1-[2-(propyldisulfanyl)ethyl]pyridin-1-ium
CID 89468140
1-butyl-2-propylpyridin-1-ium fluoride
CID 171569920

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylpyridin-1-ium?
The IUPAC name of 1-butyl-2-methylpyridin-1-ium (CID 13240378) is 1-butyl-2-methylpyridin-1-ium.
What is the SMILES notation for 1-butyl-2-methylpyridin-1-ium?
The canonical SMILES for 1-butyl-2-methylpyridin-1-ium is CCCC[n+]1ccccc1C.
What is the InChIKey of 1-butyl-2-methylpyridin-1-ium?
The InChIKey is BHIGPVGNEXDQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3/q+1.
What are the key properties of 1-butyl-2-methylpyridin-1-ium?
1-butyl-2-methylpyridin-1-ium has a molecular weight of 150.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylpyridin-1-ium is sourced from PubChem (CID 13240378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).