2-ethoxypropanimidamide

C5H12N2O — CID 54595696

IUPAC2-ethoxypropanimidamide
SMILES[H]/N=C(\N)C(C)OCC
InChIInChI=1S/C5H12N2O/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H3,6,7)
InChIKeyGDWJZZAGFFRAGC-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.35
Rot. Bonds3

About 2-ethoxypropanimidamide

2-ethoxypropanimidamide (PubChem CID 54595696) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-ethoxypropanimidamide.

Molecular Properties

Compound Name2-ethoxypropanimidamide
PubChem CID54595696
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-ethoxypropanimidamide
SMILES[H]/N=C(\N)C(C)OCC
InChIInChI=1S/C5H12N2O/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H3,6,7)
InChIKeyGDWJZZAGFFRAGC-UHFFFAOYSA-N
XLogP0.35
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropanimidamide?
The IUPAC name of 2-ethoxypropanimidamide (CID 54595696) is 2-ethoxypropanimidamide.
What is the SMILES notation for 2-ethoxypropanimidamide?
The canonical SMILES for 2-ethoxypropanimidamide is [H]/N=C(\N)C(C)OCC.
What is the InChIKey of 2-ethoxypropanimidamide?
The InChIKey is GDWJZZAGFFRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H3,6,7).
What are the key properties of 2-ethoxypropanimidamide?
2-ethoxypropanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropanimidamide is sourced from PubChem (CID 54595696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).