1-butyl-3,5-dipropylpyridin-1-ium

C15H26N+ — CID 69395141

IUPAC1-butyl-3,5-dipropylpyridin-1-ium
SMILESCCCC[n+]1cc(CCC)cc(CCC)c1
InChIInChI=1S/C15H26N/c1-4-7-10-16-12-14(8-5-2)11-15(13-16)9-6-3/h11-13H,4-10H2,1-3H3/q+1
InChIKeyACEVLXBXQYKOKP-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.68
Rot. Bonds7

About 1-butyl-3,5-dipropylpyridin-1-ium

1-butyl-3,5-dipropylpyridin-1-ium (PubChem CID 69395141) has the molecular formula C15H26N+ and a molecular weight of 220.38 g/mol. Its IUPAC name is 1-butyl-3,5-dipropylpyridin-1-ium.

Molecular Properties

Compound Name1-butyl-3,5-dipropylpyridin-1-ium
PubChem CID69395141
Molecular FormulaC15H26N+
Molecular Weight220.38 g/mol
Exact Mass220.21
IUPAC Name1-butyl-3,5-dipropylpyridin-1-ium
SMILESCCCC[n+]1cc(CCC)cc(CCC)c1
InChIInChI=1S/C15H26N/c1-4-7-10-16-12-14(8-5-2)11-15(13-16)9-6-3/h11-13H,4-10H2,1-3H3/q+1
InChIKeyACEVLXBXQYKOKP-UHFFFAOYSA-N
XLogP3.68
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-dipropylpyridin-1-ium?
The IUPAC name of 1-butyl-3,5-dipropylpyridin-1-ium (CID 69395141) is 1-butyl-3,5-dipropylpyridin-1-ium.
What is the SMILES notation for 1-butyl-3,5-dipropylpyridin-1-ium?
The canonical SMILES for 1-butyl-3,5-dipropylpyridin-1-ium is CCCC[n+]1cc(CCC)cc(CCC)c1.
What is the InChIKey of 1-butyl-3,5-dipropylpyridin-1-ium?
The InChIKey is ACEVLXBXQYKOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N/c1-4-7-10-16-12-14(8-5-2)11-15(13-16)9-6-3/h11-13H,4-10H2,1-3H3/q+1.
What are the key properties of 1-butyl-3,5-dipropylpyridin-1-ium?
1-butyl-3,5-dipropylpyridin-1-ium has a molecular weight of 220.38 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-dipropylpyridin-1-ium is sourced from PubChem (CID 69395141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).