3-(2-methoxyethoxy)prop-1-en-2-amine

C6H13NO2 — CID 130378862

IUPAC3-(2-methoxyethoxy)prop-1-en-2-amine
SMILESC=C(N)COCCOC
InChIInChI=1S/C6H13NO2/c1-6(7)5-9-4-3-8-2/h1,3-5,7H2,2H3
InChIKeyOJPKWZQCGWZCAG-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.12
Rot. Bonds5

About 3-(2-methoxyethoxy)prop-1-en-2-amine

3-(2-methoxyethoxy)prop-1-en-2-amine (PubChem CID 130378862) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)prop-1-en-2-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)prop-1-en-2-amine
PubChem CID130378862
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-(2-methoxyethoxy)prop-1-en-2-amine
SMILESC=C(N)COCCOC
InChIInChI=1S/C6H13NO2/c1-6(7)5-9-4-3-8-2/h1,3-5,7H2,2H3
InChIKeyOJPKWZQCGWZCAG-UHFFFAOYSA-N
XLogP0.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)prop-1-en-2-amine?
The IUPAC name of 3-(2-methoxyethoxy)prop-1-en-2-amine (CID 130378862) is 3-(2-methoxyethoxy)prop-1-en-2-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)prop-1-en-2-amine?
The canonical SMILES for 3-(2-methoxyethoxy)prop-1-en-2-amine is C=C(N)COCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)prop-1-en-2-amine?
The InChIKey is OJPKWZQCGWZCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(7)5-9-4-3-8-2/h1,3-5,7H2,2H3.
What are the key properties of 3-(2-methoxyethoxy)prop-1-en-2-amine?
3-(2-methoxyethoxy)prop-1-en-2-amine has a molecular weight of 131.17 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)prop-1-en-2-amine is sourced from PubChem (CID 130378862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).