1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol

C10H17N2O+ — CID 20802811

IUPAC1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol
SMILESCC(O)c1cc[n+](CCCN)cc1
InChIInChI=1S/C10H17N2O/c1-9(13)10-3-7-12(8-4-10)6-2-5-11/h3-4,7-9,13H,2,5-6,11H2,1H3/q+1
InChIKeyNOCLLGKQXFBSDO-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.38
Rot. Bonds4

About 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol

1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol (PubChem CID 20802811) has the molecular formula C10H17N2O+ and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol
PubChem CID20802811
Molecular FormulaC10H17N2O+
Molecular Weight181.26 g/mol
Exact Mass181.13
IUPAC Name1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol
SMILESCC(O)c1cc[n+](CCCN)cc1
InChIInChI=1S/C10H17N2O/c1-9(13)10-3-7-12(8-4-10)6-2-5-11/h3-4,7-9,13H,2,5-6,11H2,1H3/q+1
InChIKeyNOCLLGKQXFBSDO-UHFFFAOYSA-N
XLogP0.38
TPSA50.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol 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

2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide
CID 20802846
3-(4-methylpyridin-1-ium-1-yl)propan-1-amine bromide
CID 162340463
3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propan-1-amine
CID 71375197
4-propan-2-yl-1-tridecylpyridin-1-ium
CID 69404783
4-propan-2-yl-1-undecylpyridin-1-ium
CID 69406935
4-propan-2-yl-1-propylpyridin-1-ium
CID 69410070
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
2-[4-[1-[10-[4-[1-[10-[4-[1-(2-aminoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]decyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethanamine
CID 102410007
(1-butylpyridin-1-ium-4-yl)methanamine
CID 91902595
[2-(carbamoylamino)-1,2-bis(1-propylpyridin-1-ium-4-yl)ethyl]urea
CID 53310355
1-hexyl-4-nonan-5-ylpyridin-1-ium
CID 71367879
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol?
The IUPAC name of 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol (CID 20802811) is 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol.
What is the SMILES notation for 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol?
The canonical SMILES for 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol is CC(O)c1cc[n+](CCCN)cc1.
What is the InChIKey of 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol?
The InChIKey is NOCLLGKQXFBSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O/c1-9(13)10-3-7-12(8-4-10)6-2-5-11/h3-4,7-9,13H,2,5-6,11H2,1H3/q+1.
What are the key properties of 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol?
1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol has a molecular weight of 181.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminopropyl)pyridin-1-ium-4-yl]ethanol is sourced from PubChem (CID 20802811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).