(E)-2-ethoxy-3-iminoprop-1-en-1-amine

C5H10N2O — CID 145142641

IUPAC(E)-2-ethoxy-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)OCC
InChIInChI=1S/C5H10N2O/c1-2-8-5(3-6)4-7/h3-4,6H,2,7H2,1H3/b5-4+,6-3+
InChIKeyPPTBKOBJJLAASS-UTTVJGTNSA-N
MW114.15 g/mol
LogP0.47
Rot. Bonds3

About (E)-2-ethoxy-3-iminoprop-1-en-1-amine

(E)-2-ethoxy-3-iminoprop-1-en-1-amine (PubChem CID 145142641) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (E)-2-ethoxy-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethoxy-3-iminoprop-1-en-1-amine
PubChem CID145142641
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(E)-2-ethoxy-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)OCC
InChIInChI=1S/C5H10N2O/c1-2-8-5(3-6)4-7/h3-4,6H,2,7H2,1H3/b5-4+,6-3+
InChIKeyPPTBKOBJJLAASS-UTTVJGTNSA-N
XLogP0.47
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-2-ethoxy-3-iminoprop-1-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 (E)-2-ethoxy-3-iminoprop-1-en-1-amine?
The IUPAC name of (E)-2-ethoxy-3-iminoprop-1-en-1-amine (CID 145142641) is (E)-2-ethoxy-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-ethoxy-3-iminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-ethoxy-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)OCC.
What is the InChIKey of (E)-2-ethoxy-3-iminoprop-1-en-1-amine?
The InChIKey is PPTBKOBJJLAASS-UTTVJGTNSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-8-5(3-6)4-7/h3-4,6H,2,7H2,1H3/b5-4+,6-3+.
What are the key properties of (E)-2-ethoxy-3-iminoprop-1-en-1-amine?
(E)-2-ethoxy-3-iminoprop-1-en-1-amine has a molecular weight of 114.15 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethoxy-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 145142641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).