3-ethoxy-N-methyloxiran-2-amine

C5H11NO2 — CID 154561397

IUPAC3-ethoxy-N-methyloxiran-2-amine
SMILESCCOC1OC1NC
InChIInChI=1S/C5H11NO2/c1-3-7-5-4(6-2)8-5/h4-6H,3H2,1-2H3
InChIKeyOVWKIJJJYNOVPB-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.08
Rot. Bonds3

About 3-ethoxy-N-methyloxiran-2-amine

3-ethoxy-N-methyloxiran-2-amine (PubChem CID 154561397) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-ethoxy-N-methyloxiran-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyloxiran-2-amine
PubChem CID154561397
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name3-ethoxy-N-methyloxiran-2-amine
SMILESCCOC1OC1NC
InChIInChI=1S/C5H11NO2/c1-3-7-5-4(6-2)8-5/h4-6H,3H2,1-2H3
InChIKeyOVWKIJJJYNOVPB-UHFFFAOYSA-N
XLogP-0.08
TPSA33.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2,3-diethoxyoxirane
CID 10701862
3,4-diethoxydioxetane
CID 59986645
3-ethoxy-N-[(2-propylcyclohexyl)methoxy]oxiran-2-amine
CID 146639847
(2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane
CID 162134537
2-(4,5-diethoxy-1,3-dioxolan-2-yl)-1,3-dioxolane-4,5-diol
CID 86153336
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
6-ethoxy-2,5-dimethyloxane-3,4-diol
CID 159419325
(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
CID 167273619
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
[(3aR,6R,6aR)-4-ethoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 45094512
3-ethoxy-N-methylcyclopentan-1-amine
CID 79642997
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyloxiran-2-amine?
The IUPAC name of 3-ethoxy-N-methyloxiran-2-amine (CID 154561397) is 3-ethoxy-N-methyloxiran-2-amine.
What is the SMILES notation for 3-ethoxy-N-methyloxiran-2-amine?
The canonical SMILES for 3-ethoxy-N-methyloxiran-2-amine is CCOC1OC1NC.
What is the InChIKey of 3-ethoxy-N-methyloxiran-2-amine?
The InChIKey is OVWKIJJJYNOVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-7-5-4(6-2)8-5/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethoxy-N-methyloxiran-2-amine?
3-ethoxy-N-methyloxiran-2-amine has a molecular weight of 117.15 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyloxiran-2-amine is sourced from PubChem (CID 154561397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).