4-hexyl-1-pentylpyridin-1-ium

C16H28N+ — CID 69396587

IUPAC4-hexyl-1-pentylpyridin-1-ium
SMILESCCCCCCc1cc[n+](CCCCC)cc1
InChIInChI=1S/C16H28N/c1-3-5-7-8-10-16-11-14-17(15-12-16)13-9-6-4-2/h11-12,14-15H,3-10,13H2,1-2H3/q+1
InChIKeyUDRQBUMFUMMAQD-UHFFFAOYSA-N
MW234.41 g/mol
LogP4.29
Rot. Bonds9

About 4-hexyl-1-pentylpyridin-1-ium

4-hexyl-1-pentylpyridin-1-ium (PubChem CID 69396587) has the molecular formula C16H28N+ and a molecular weight of 234.41 g/mol. Its IUPAC name is 4-hexyl-1-pentylpyridin-1-ium.

Molecular Properties

Compound Name4-hexyl-1-pentylpyridin-1-ium
PubChem CID69396587
Molecular FormulaC16H28N+
Molecular Weight234.41 g/mol
Exact Mass234.22
IUPAC Name4-hexyl-1-pentylpyridin-1-ium
SMILESCCCCCCc1cc[n+](CCCCC)cc1
InChIInChI=1S/C16H28N/c1-3-5-7-8-10-16-11-14-17(15-12-16)13-9-6-4-2/h11-12,14-15H,3-10,13H2,1-2H3/q+1
InChIKeyUDRQBUMFUMMAQD-UHFFFAOYSA-N
XLogP4.29
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.29
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

1-heptyl-4-pentadecylpyridin-1-ium
CID 69392456
4-decyl-1-heptylpyridin-1-ium
CID 69386084
1-octadecyl-4-octylpyridin-1-ium
CID 69390260
4-decyl-1-nonadecylpyridin-1-ium
CID 69394028
4-dodecyl-1-pentylpyridin-1-ium
CID 69391900
1-pentadecyl-4-tetradecylpyridin-1-ium
CID 69388055
1-nonyl-4-octylpyridin-1-ium
CID 69390561
1-nonyl-4-octadecylpyridin-1-ium
CID 69394082
1-octadecyl-4-undecylpyridin-1-ium
CID 69394600
1-decyl-4-tridecylpyridin-1-ium chloride
CID 11362636
1-hexadecyl-4-[3-(1-hexadecylpyridin-1-ium-4-yl)propyl]pyridin-1-ium
CID 132541159
4-butyl-1-dodecylpyridin-1-ium chloride
CID 22164599

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-1-pentylpyridin-1-ium?
The IUPAC name of 4-hexyl-1-pentylpyridin-1-ium (CID 69396587) is 4-hexyl-1-pentylpyridin-1-ium.
What is the SMILES notation for 4-hexyl-1-pentylpyridin-1-ium?
The canonical SMILES for 4-hexyl-1-pentylpyridin-1-ium is CCCCCCc1cc[n+](CCCCC)cc1.
What is the InChIKey of 4-hexyl-1-pentylpyridin-1-ium?
The InChIKey is UDRQBUMFUMMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N/c1-3-5-7-8-10-16-11-14-17(15-12-16)13-9-6-4-2/h11-12,14-15H,3-10,13H2,1-2H3/q+1.
What are the key properties of 4-hexyl-1-pentylpyridin-1-ium?
4-hexyl-1-pentylpyridin-1-ium has a molecular weight of 234.41 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-1-pentylpyridin-1-ium is sourced from PubChem (CID 69396587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).