1-hexyl-3,4-dipropylpyridin-1-ium

C17H30N+ — CID 69387593

IUPAC1-hexyl-3,4-dipropylpyridin-1-ium
SMILESCCCCCC[n+]1ccc(CCC)c(CCC)c1
InChIInChI=1S/C17H30N/c1-4-7-8-9-13-18-14-12-16(10-5-2)17(15-18)11-6-3/h12,14-15H,4-11,13H2,1-3H3/q+1
InChIKeyBZZRWYWYIRAGDD-UHFFFAOYSA-N
MW248.43 g/mol
LogP4.46
Rot. Bonds9

About 1-hexyl-3,4-dipropylpyridin-1-ium

1-hexyl-3,4-dipropylpyridin-1-ium (PubChem CID 69387593) has the molecular formula C17H30N+ and a molecular weight of 248.43 g/mol. Its IUPAC name is 1-hexyl-3,4-dipropylpyridin-1-ium.

Molecular Properties

Compound Name1-hexyl-3,4-dipropylpyridin-1-ium
PubChem CID69387593
Molecular FormulaC17H30N+
Molecular Weight248.43 g/mol
Exact Mass248.24
IUPAC Name1-hexyl-3,4-dipropylpyridin-1-ium
SMILESCCCCCC[n+]1ccc(CCC)c(CCC)c1
InChIInChI=1S/C17H30N/c1-4-7-8-9-13-18-14-12-16(10-5-2)17(15-18)11-6-3/h12,14-15H,4-11,13H2,1-3H3/q+1
InChIKeyBZZRWYWYIRAGDD-UHFFFAOYSA-N
XLogP4.46
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.43
LogP ≤ 54.46
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-3,4-dipropylpyridin-1-ium
CID 69394774
1-heptyl-3,4-dioctadecylpyridin-1-ium
CID 69395112
3,4-diheptyl-1-pentylpyridin-1-ium
CID 69397631
3,4-di(pentadecyl)-1-undecylpyridin-1-ium
CID 69389970
1-hexyl-3,4-dioctadecylpyridin-1-ium
CID 69397269
1-pentyl-3,4-di(tridecyl)pyridin-1-ium
CID 69396186
3,4-di(pentadecyl)-1-pentylpyridin-1-ium
CID 69392745
3,4-dioctyl-1-pentadecylpyridin-1-ium
CID 69391352
1-octadecyl-3,4-di(pentadecyl)pyridin-1-ium
CID 154154908
1-nonadecyl-3,4-di(tridecyl)pyridin-1-ium
CID 69396103
3,4-didodecyl-1-tridecylpyridin-1-ium
CID 69394522
3,4-di(heptadecyl)-1-hexadecylpyridin-1-ium
CID 69396202

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3,4-dipropylpyridin-1-ium?
The IUPAC name of 1-hexyl-3,4-dipropylpyridin-1-ium (CID 69387593) is 1-hexyl-3,4-dipropylpyridin-1-ium.
What is the SMILES notation for 1-hexyl-3,4-dipropylpyridin-1-ium?
The canonical SMILES for 1-hexyl-3,4-dipropylpyridin-1-ium is CCCCCC[n+]1ccc(CCC)c(CCC)c1.
What is the InChIKey of 1-hexyl-3,4-dipropylpyridin-1-ium?
The InChIKey is BZZRWYWYIRAGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N/c1-4-7-8-9-13-18-14-12-16(10-5-2)17(15-18)11-6-3/h12,14-15H,4-11,13H2,1-3H3/q+1.
What are the key properties of 1-hexyl-3,4-dipropylpyridin-1-ium?
1-hexyl-3,4-dipropylpyridin-1-ium has a molecular weight of 248.43 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3,4-dipropylpyridin-1-ium is sourced from PubChem (CID 69387593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).