2-ethylperoxyethanamine

C4H11NO2 — CID 54218217

IUPAC2-ethylperoxyethanamine
SMILESCCOOCCN
InChIInChI=1S/C4H11NO2/c1-2-6-7-4-3-5/h2-5H2,1H3
InChIKeyQARLDLNJWPXBFA-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.09
Rot. Bonds4

About 2-ethylperoxyethanamine

2-ethylperoxyethanamine (PubChem CID 54218217) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-ethylperoxyethanamine.

Molecular Properties

Compound Name2-ethylperoxyethanamine
PubChem CID54218217
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name2-ethylperoxyethanamine
SMILESCCOOCCN
InChIInChI=1S/C4H11NO2/c1-2-6-7-4-3-5/h2-5H2,1H3
InChIKeyQARLDLNJWPXBFA-UHFFFAOYSA-N
XLogP-0.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-ethylperoxyethanamine 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-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365297
2-(2-octadecoxyethylperoxy)ethanamine
CID 161248525
ethane;2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365421
molecular hydrogen;2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 169185868
ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen
CID 142368872
11-ethylperoxyundecyl(trimethoxy)silane
CID 155643912
ethanamine;ethane;ethane-1,2-diamine
CID 144954036
ethane-1,2-diamine;triethoxysilane
CID 175110437
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
2-[amino(diethoxy)silyl]oxyethanamine
CID 174696376
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
3-aminopropyl triethoxy silicate
CID 87731521

Frequently Asked Questions

What is the IUPAC name of 2-ethylperoxyethanamine?
The IUPAC name of 2-ethylperoxyethanamine (CID 54218217) is 2-ethylperoxyethanamine.
What is the SMILES notation for 2-ethylperoxyethanamine?
The canonical SMILES for 2-ethylperoxyethanamine is CCOOCCN.
What is the InChIKey of 2-ethylperoxyethanamine?
The InChIKey is QARLDLNJWPXBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-2-6-7-4-3-5/h2-5H2,1H3.
What are the key properties of 2-ethylperoxyethanamine?
2-ethylperoxyethanamine has a molecular weight of 105.14 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylperoxyethanamine is sourced from PubChem (CID 54218217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).