1-butyl-3-pentylpyridin-1-ium

C14H24N+ — CID 11845919

IUPAC1-butyl-3-pentylpyridin-1-ium
SMILESCCCCCc1ccc[n+](CCCC)c1
InChIInChI=1S/C14H24N/c1-3-5-7-9-14-10-8-12-15(13-14)11-6-4-2/h8,10,12-13H,3-7,9,11H2,1-2H3/q+1
InChIKeyVDAFHEZTHPAJHO-UHFFFAOYSA-N
MW206.35 g/mol
LogP3.51
Rot. Bonds7

About 1-butyl-3-pentylpyridin-1-ium

1-butyl-3-pentylpyridin-1-ium (PubChem CID 11845919) has the molecular formula C14H24N+ and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-butyl-3-pentylpyridin-1-ium.

Molecular Properties

Compound Name1-butyl-3-pentylpyridin-1-ium
PubChem CID11845919
Molecular FormulaC14H24N+
Molecular Weight206.35 g/mol
Exact Mass206.19
IUPAC Name1-butyl-3-pentylpyridin-1-ium
SMILESCCCCCc1ccc[n+](CCCC)c1
InChIInChI=1S/C14H24N/c1-3-5-7-9-14-10-8-12-15(13-14)11-6-4-2/h8,10,12-13H,3-7,9,11H2,1-2H3/q+1
InChIKeyVDAFHEZTHPAJHO-UHFFFAOYSA-N
XLogP3.51
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 53.51
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

3-octyl-1-undecylpyridin-1-ium
CID 69390098
1-dodecyl-3-heptadecylpyridin-1-ium
CID 69396835
3-decyl-1-nonylpyridin-1-ium
CID 69391901
1-decyl-3-tetradecylpyridin-1-ium
CID 69387489
3-hexadecyl-1-octadecylpyridin-1-ium
CID 69395043
1-hexyl-3-nonadecylpyridin-1-ium
CID 69397538
3-nonadecyl-1-tridecylpyridin-1-ium
CID 69393724
1-hexyl-3-tridecylpyridin-1-ium
CID 69392131
1-nonadecyl-3-octylpyridin-1-ium
CID 69390200
1-dodecyl-3-heptylpyridin-1-ium
CID 69392967
3-butyl-1-octadecylpyridin-1-ium
CID 69394890
3-butyl-1-heptadecylpyridin-1-ium
CID 69395997

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-pentylpyridin-1-ium?
The IUPAC name of 1-butyl-3-pentylpyridin-1-ium (CID 11845919) is 1-butyl-3-pentylpyridin-1-ium.
What is the SMILES notation for 1-butyl-3-pentylpyridin-1-ium?
The canonical SMILES for 1-butyl-3-pentylpyridin-1-ium is CCCCCc1ccc[n+](CCCC)c1.
What is the InChIKey of 1-butyl-3-pentylpyridin-1-ium?
The InChIKey is VDAFHEZTHPAJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N/c1-3-5-7-9-14-10-8-12-15(13-14)11-6-4-2/h8,10,12-13H,3-7,9,11H2,1-2H3/q+1.
What are the key properties of 1-butyl-3-pentylpyridin-1-ium?
1-butyl-3-pentylpyridin-1-ium has a molecular weight of 206.35 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-pentylpyridin-1-ium is sourced from PubChem (CID 11845919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).