2-(4-propylpyridin-1-ium-1-yl)ethanamine

C10H17N2+ — CID 153278002

IUPAC2-(4-propylpyridin-1-ium-1-yl)ethanamine
SMILESCCCc1cc[n+](CCN)cc1
InChIInChI=1S/C10H17N2/c1-2-3-10-4-7-12(8-5-10)9-6-11/h4-5,7-8H,2-3,6,9,11H2,1H3/q+1
InChIKeyVCYLIPQMGNOHNG-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.89
Rot. Bonds4

About 2-(4-propylpyridin-1-ium-1-yl)ethanamine

2-(4-propylpyridin-1-ium-1-yl)ethanamine (PubChem CID 153278002) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is 2-(4-propylpyridin-1-ium-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-propylpyridin-1-ium-1-yl)ethanamine
PubChem CID153278002
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC Name2-(4-propylpyridin-1-ium-1-yl)ethanamine
SMILESCCCc1cc[n+](CCN)cc1
InChIInChI=1S/C10H17N2/c1-2-3-10-4-7-12(8-5-10)9-6-11/h4-5,7-8H,2-3,6,9,11H2,1H3/q+1
InChIKeyVCYLIPQMGNOHNG-UHFFFAOYSA-N
XLogP0.89
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(4-propylpyridin-1-ium-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dipropylpyridin-1-ium
CID 69396586
1-pentyl-4-propylpyridin-1-ium
CID 69394623
1-hexadecyl-4-propylpyridin-1-ium
CID 69389334
1-octyl-4-propylpyridin-1-ium
CID 18377811
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-butylpyridin-1-ium-4-yl)methanamine
CID 91902595
1-butyl-4-pentylpyridin-1-ium
CID 69385762
1-(2-aminoethyl)-N-ethylpyridin-1-ium-4-amine
CID 154697354
1-ethyl-4-propylpyridin-1-ium;methanesulfonic acid
CID 175583493

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylpyridin-1-ium-1-yl)ethanamine?
The IUPAC name of 2-(4-propylpyridin-1-ium-1-yl)ethanamine (CID 153278002) is 2-(4-propylpyridin-1-ium-1-yl)ethanamine.
What is the SMILES notation for 2-(4-propylpyridin-1-ium-1-yl)ethanamine?
The canonical SMILES for 2-(4-propylpyridin-1-ium-1-yl)ethanamine is CCCc1cc[n+](CCN)cc1.
What is the InChIKey of 2-(4-propylpyridin-1-ium-1-yl)ethanamine?
The InChIKey is VCYLIPQMGNOHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2/c1-2-3-10-4-7-12(8-5-10)9-6-11/h4-5,7-8H,2-3,6,9,11H2,1H3/q+1.
What are the key properties of 2-(4-propylpyridin-1-ium-1-yl)ethanamine?
2-(4-propylpyridin-1-ium-1-yl)ethanamine has a molecular weight of 165.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylpyridin-1-ium-1-yl)ethanamine is sourced from PubChem (CID 153278002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).