1-(1-aminoprop-2-enylamino)ethanol

C5H12N2O — CID 87147612

IUPAC1-(1-aminoprop-2-enylamino)ethanol
SMILESC=CC(N)NC(C)O
InChIInChI=1S/C5H12N2O/c1-3-5(6)7-4(2)8/h3-5,7-8H,1,6H2,2H3
InChIKeyAORICMQXGVSRNW-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.61
Rot. Bonds3

About 1-(1-aminoprop-2-enylamino)ethanol

1-(1-aminoprop-2-enylamino)ethanol (PubChem CID 87147612) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-(1-aminoprop-2-enylamino)ethanol.

Molecular Properties

Compound Name1-(1-aminoprop-2-enylamino)ethanol
PubChem CID87147612
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1-(1-aminoprop-2-enylamino)ethanol
SMILESC=CC(N)NC(C)O
InChIInChI=1S/C5H12N2O/c1-3-5(6)7-4(2)8/h3-5,7-8H,1,6H2,2H3
InChIKeyAORICMQXGVSRNW-UHFFFAOYSA-N
XLogP-0.61
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(1-aminoprop-2-enylamino)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoprop-2-enylamino)ethanol?
The IUPAC name of 1-(1-aminoprop-2-enylamino)ethanol (CID 87147612) is 1-(1-aminoprop-2-enylamino)ethanol.
What is the SMILES notation for 1-(1-aminoprop-2-enylamino)ethanol?
The canonical SMILES for 1-(1-aminoprop-2-enylamino)ethanol is C=CC(N)NC(C)O.
What is the InChIKey of 1-(1-aminoprop-2-enylamino)ethanol?
The InChIKey is AORICMQXGVSRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-5(6)7-4(2)8/h3-5,7-8H,1,6H2,2H3.
What are the key properties of 1-(1-aminoprop-2-enylamino)ethanol?
1-(1-aminoprop-2-enylamino)ethanol has a molecular weight of 116.16 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoprop-2-enylamino)ethanol is sourced from PubChem (CID 87147612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).