1,4-dipropylpyridin-1-ium

C11H18N+ — CID 69396586

IUPAC1,4-dipropylpyridin-1-ium
SMILESCCCc1cc[n+](CCC)cc1
InChIInChI=1S/C11H18N/c1-3-5-11-6-9-12(8-4-2)10-7-11/h6-7,9-10H,3-5,8H2,1-2H3/q+1
InChIKeyYRFTZCFZCKLYHL-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.34
Rot. Bonds4

About 1,4-dipropylpyridin-1-ium

1,4-dipropylpyridin-1-ium (PubChem CID 69396586) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is 1,4-dipropylpyridin-1-ium.

Molecular Properties

Compound Name1,4-dipropylpyridin-1-ium
PubChem CID69396586
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Name1,4-dipropylpyridin-1-ium
SMILESCCCc1cc[n+](CCC)cc1
InChIInChI=1S/C11H18N/c1-3-5-11-6-9-12(8-4-2)10-7-11/h6-7,9-10H,3-5,8H2,1-2H3/q+1
InChIKeyYRFTZCFZCKLYHL-UHFFFAOYSA-N
XLogP2.34
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.34
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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Related Compounds

2-(4-propylpyridin-1-ium-1-yl)ethanamine
CID 153278002
1-pentyl-4-propylpyridin-1-ium
CID 69394623
1-hexadecyl-4-propylpyridin-1-ium
CID 69389334
1-octyl-4-propylpyridin-1-ium
CID 18377811
4-pentadecyl-1-propylpyridin-1-ium
CID 69392060
1-hexyl-4-propylpyridin-1-ium fluoride
CID 171571557
1-nonyl-4-propylpyridin-1-ium fluoride
CID 171569989
1-butyl-4-propylpyridin-1-ium;methanesulfonic acid
CID 175583763
1-butyl-4-propylpyridin-1-ium acetate
CID 171570431
1-butyl-4-pentylpyridin-1-ium
CID 69385762
1-ethyl-4-propylpyridin-1-ium;methanesulfonic acid
CID 175583493
1-heptyl-4-pentadecylpyridin-1-ium
CID 69392456

Frequently Asked Questions

What is the IUPAC name of 1,4-dipropylpyridin-1-ium?
The IUPAC name of 1,4-dipropylpyridin-1-ium (CID 69396586) is 1,4-dipropylpyridin-1-ium.
What is the SMILES notation for 1,4-dipropylpyridin-1-ium?
The canonical SMILES for 1,4-dipropylpyridin-1-ium is CCCc1cc[n+](CCC)cc1.
What is the InChIKey of 1,4-dipropylpyridin-1-ium?
The InChIKey is YRFTZCFZCKLYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N/c1-3-5-11-6-9-12(8-4-2)10-7-11/h6-7,9-10H,3-5,8H2,1-2H3/q+1.
What are the key properties of 1,4-dipropylpyridin-1-ium?
1,4-dipropylpyridin-1-ium has a molecular weight of 164.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipropylpyridin-1-ium is sourced from PubChem (CID 69396586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).