1-hexylpyridin-1-ium-2-amine

C11H19N2+ — CID 12924167

IUPAC1-hexylpyridin-1-ium-2-amine
SMILESCCCCCC[n+]1ccccc1N
InChIInChI=1S/C11H18N2/c1-2-3-4-6-9-13-10-7-5-8-11(13)12/h5,7-8,10,12H,2-4,6,9H2,1H3/p+1
InChIKeyUGZCUGYVZSCAGJ-UHFFFAOYSA-O
MW179.29 g/mol
LogP2.14
Rot. Bonds5

About 1-hexylpyridin-1-ium-2-amine

1-hexylpyridin-1-ium-2-amine (PubChem CID 12924167) has the molecular formula C11H19N2+ and a molecular weight of 179.29 g/mol. Its IUPAC name is 1-hexylpyridin-1-ium-2-amine.

Molecular Properties

Compound Name1-hexylpyridin-1-ium-2-amine
PubChem CID12924167
Molecular FormulaC11H19N2+
Molecular Weight179.29 g/mol
Exact Mass179.15
IUPAC Name1-hexylpyridin-1-ium-2-amine
SMILESCCCCCC[n+]1ccccc1N
InChIInChI=1S/C11H18N2/c1-2-3-4-6-9-13-10-7-5-8-11(13)12/h5,7-8,10,12H,2-4,6,9H2,1H3/p+1
InChIKeyUGZCUGYVZSCAGJ-UHFFFAOYSA-O
XLogP2.14
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide
CID 138811091
2-bromo-1-docosylpyridin-1-ium
CID 174958496
2-bromo-1-octadecylpyridin-1-ium
CID 159905409
1-dodecyl-2-ethylpyridin-1-ium
CID 57483554
2-octyl-1-[8-(2-octylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 102323866
2-hexadecyl-1-[10-(2-hexadecylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
CID 101475531
2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
CID 24865578
2-butyl-1-dodecylpyridin-1-ium
CID 171570143
2-ethyl-1-hexylpyridin-1-ium fluoride
CID 171571226
1-dodecyl-2-[3-(1-dodecylpyridin-1-ium-2-yl)propyl]pyridin-1-ium diiodide
CID 11007274
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303
1-decyl-2-octylpyridin-1-ium chloride
CID 67784709

Frequently Asked Questions

What is the IUPAC name of 1-hexylpyridin-1-ium-2-amine?
The IUPAC name of 1-hexylpyridin-1-ium-2-amine (CID 12924167) is 1-hexylpyridin-1-ium-2-amine.
What is the SMILES notation for 1-hexylpyridin-1-ium-2-amine?
The canonical SMILES for 1-hexylpyridin-1-ium-2-amine is CCCCCC[n+]1ccccc1N.
What is the InChIKey of 1-hexylpyridin-1-ium-2-amine?
The InChIKey is UGZCUGYVZSCAGJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18N2/c1-2-3-4-6-9-13-10-7-5-8-11(13)12/h5,7-8,10,12H,2-4,6,9H2,1H3/p+1.
What are the key properties of 1-hexylpyridin-1-ium-2-amine?
1-hexylpyridin-1-ium-2-amine has a molecular weight of 179.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpyridin-1-ium-2-amine is sourced from PubChem (CID 12924167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).