1-(oxiran-2-ylmethoxy)ethanamine

C5H11NO2 — CID 130292873

IUPAC1-(oxiran-2-ylmethoxy)ethanamine
SMILESCC(N)OCC1CO1
InChIInChI=1S/C5H11NO2/c1-4(6)7-2-5-3-8-5/h4-5H,2-3,6H2,1H3
InChIKeyCOUMVQFUJBFAPW-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.29
Rot. Bonds3

About 1-(oxiran-2-ylmethoxy)ethanamine

1-(oxiran-2-ylmethoxy)ethanamine (PubChem CID 130292873) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethoxy)ethanamine.

Molecular Properties

Compound Name1-(oxiran-2-ylmethoxy)ethanamine
PubChem CID130292873
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-(oxiran-2-ylmethoxy)ethanamine
SMILESCC(N)OCC1CO1
InChIInChI=1S/C5H11NO2/c1-4(6)7-2-5-3-8-5/h4-5H,2-3,6H2,1H3
InChIKeyCOUMVQFUJBFAPW-UHFFFAOYSA-N
XLogP-0.29
TPSA47.78 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 ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-yloxymethyl)oxirane
CID 159998967
2-(1-bromoethoxymethyl)oxirane
CID 20568723
2-(1-iodoethoxymethyl)oxirane
CID 89194519
2-(oxiran-2-ylmethoxy)hexan-3-amine
CID 163429320
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
2-(hex-4-en-2-yloxymethyl)oxirane
CID 89335517
2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane
CID 71384390
2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane
CID 88931342
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
2-(1-chlorobutan-2-yloxymethyl)oxirane
CID 58763744

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethoxy)ethanamine?
The IUPAC name of 1-(oxiran-2-ylmethoxy)ethanamine (CID 130292873) is 1-(oxiran-2-ylmethoxy)ethanamine.
What is the SMILES notation for 1-(oxiran-2-ylmethoxy)ethanamine?
The canonical SMILES for 1-(oxiran-2-ylmethoxy)ethanamine is CC(N)OCC1CO1.
What is the InChIKey of 1-(oxiran-2-ylmethoxy)ethanamine?
The InChIKey is COUMVQFUJBFAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(6)7-2-5-3-8-5/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(oxiran-2-ylmethoxy)ethanamine?
1-(oxiran-2-ylmethoxy)ethanamine has a molecular weight of 117.15 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethoxy)ethanamine is sourced from PubChem (CID 130292873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).