1-ethoxy-N-ethylprop-2-en-1-amine

C7H15NO — CID 18714630

IUPAC1-ethoxy-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)OCC
InChIInChI=1S/C7H15NO/c1-4-7(8-5-2)9-6-3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyFSHKIMPFEIBYSB-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.14
Rot. Bonds5

About 1-ethoxy-N-ethylprop-2-en-1-amine

1-ethoxy-N-ethylprop-2-en-1-amine (PubChem CID 18714630) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-ethoxy-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethylprop-2-en-1-amine
PubChem CID18714630
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-ethoxy-N-ethylprop-2-en-1-amine
SMILESC=CC(NCC)OCC
InChIInChI=1S/C7H15NO/c1-4-7(8-5-2)9-6-3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyFSHKIMPFEIBYSB-UHFFFAOYSA-N
XLogP1.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethoxy-N-ethylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethylprop-2-en-1-amine?
The IUPAC name of 1-ethoxy-N-ethylprop-2-en-1-amine (CID 18714630) is 1-ethoxy-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 1-ethoxy-N-ethylprop-2-en-1-amine?
The canonical SMILES for 1-ethoxy-N-ethylprop-2-en-1-amine is C=CC(NCC)OCC.
What is the InChIKey of 1-ethoxy-N-ethylprop-2-en-1-amine?
The InChIKey is FSHKIMPFEIBYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(8-5-2)9-6-3/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 1-ethoxy-N-ethylprop-2-en-1-amine?
1-ethoxy-N-ethylprop-2-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 18714630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).