2-(ethoxymethoxy)ethanamine

C5H13NO2 — CID 54113638

IUPAC2-(ethoxymethoxy)ethanamine
SMILESCCOCOCCN
InChIInChI=1S/C5H13NO2/c1-2-7-5-8-4-3-6/h2-6H2,1H3
InChIKeyNIUVVTOHBWDRNR-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.04
Rot. Bonds5

About 2-(ethoxymethoxy)ethanamine

2-(ethoxymethoxy)ethanamine (PubChem CID 54113638) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 2-(ethoxymethoxy)ethanamine.

Molecular Properties

Compound Name2-(ethoxymethoxy)ethanamine
PubChem CID54113638
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name2-(ethoxymethoxy)ethanamine
SMILESCCOCOCCN
InChIInChI=1S/C5H13NO2/c1-2-7-5-8-4-3-6/h2-6H2,1H3
InChIKeyNIUVVTOHBWDRNR-UHFFFAOYSA-N
XLogP-0.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)ethanamine?
The IUPAC name of 2-(ethoxymethoxy)ethanamine (CID 54113638) is 2-(ethoxymethoxy)ethanamine.
What is the SMILES notation for 2-(ethoxymethoxy)ethanamine?
The canonical SMILES for 2-(ethoxymethoxy)ethanamine is CCOCOCCN.
What is the InChIKey of 2-(ethoxymethoxy)ethanamine?
The InChIKey is NIUVVTOHBWDRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-2-7-5-8-4-3-6/h2-6H2,1H3.
What are the key properties of 2-(ethoxymethoxy)ethanamine?
2-(ethoxymethoxy)ethanamine has a molecular weight of 119.16 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)ethanamine is sourced from PubChem (CID 54113638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).