(E)-2-(2-methoxyethoxy)-N-methylethenamine

C6H13NO2 — CID 157071407

IUPAC(E)-2-(2-methoxyethoxy)-N-methylethenamine
SMILESCN/C=C/OCCOC
InChIInChI=1S/C6H13NO2/c1-7-3-4-9-6-5-8-2/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKeyGEOHILHHLMYSCZ-ONEGZZNKSA-N
MW131.17 g/mol
LogP0.34
Rot. Bonds5

About (E)-2-(2-methoxyethoxy)-N-methylethenamine

(E)-2-(2-methoxyethoxy)-N-methylethenamine (PubChem CID 157071407) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (E)-2-(2-methoxyethoxy)-N-methylethenamine.

Molecular Properties

Compound Name(E)-2-(2-methoxyethoxy)-N-methylethenamine
PubChem CID157071407
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(E)-2-(2-methoxyethoxy)-N-methylethenamine
SMILESCN/C=C/OCCOC
InChIInChI=1S/C6H13NO2/c1-7-3-4-9-6-5-8-2/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKeyGEOHILHHLMYSCZ-ONEGZZNKSA-N
XLogP0.34
TPSA30.49 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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-methoxyethoxy)-N-methylethenamine?
The IUPAC name of (E)-2-(2-methoxyethoxy)-N-methylethenamine (CID 157071407) is (E)-2-(2-methoxyethoxy)-N-methylethenamine.
What is the SMILES notation for (E)-2-(2-methoxyethoxy)-N-methylethenamine?
The canonical SMILES for (E)-2-(2-methoxyethoxy)-N-methylethenamine is CN/C=C/OCCOC.
What is the InChIKey of (E)-2-(2-methoxyethoxy)-N-methylethenamine?
The InChIKey is GEOHILHHLMYSCZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-3-4-9-6-5-8-2/h3-4,7H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-2-(2-methoxyethoxy)-N-methylethenamine?
(E)-2-(2-methoxyethoxy)-N-methylethenamine has a molecular weight of 131.17 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-methoxyethoxy)-N-methylethenamine is sourced from PubChem (CID 157071407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).