3-ethoxy-N'-hydroxypropanimidamide

C5H12N2O2 — CID 5044387

IUPAC3-ethoxy-N'-hydroxypropanimidamide
SMILESCCOCCC(N)=NO
InChIInChI=1S/C5H12N2O2/c1-2-9-4-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyPUUNZGQTFBFHIZ-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.16
Rot. Bonds4

About 3-ethoxy-N'-hydroxypropanimidamide

3-ethoxy-N'-hydroxypropanimidamide (PubChem CID 5044387) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-ethoxy-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-ethoxy-N'-hydroxypropanimidamide
PubChem CID5044387
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name3-ethoxy-N'-hydroxypropanimidamide
SMILESCCOCCC(N)=NO
InChIInChI=1S/C5H12N2O2/c1-2-9-4-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyPUUNZGQTFBFHIZ-UHFFFAOYSA-N
XLogP0.16
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N'-hydroxypropanimidamide?
The IUPAC name of 3-ethoxy-N'-hydroxypropanimidamide (CID 5044387) is 3-ethoxy-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-ethoxy-N'-hydroxypropanimidamide?
The canonical SMILES for 3-ethoxy-N'-hydroxypropanimidamide is CCOCCC(N)=NO.
What is the InChIKey of 3-ethoxy-N'-hydroxypropanimidamide?
The InChIKey is PUUNZGQTFBFHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-2-9-4-3-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7).
What are the key properties of 3-ethoxy-N'-hydroxypropanimidamide?
3-ethoxy-N'-hydroxypropanimidamide has a molecular weight of 132.16 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-hydroxypropanimidamide is sourced from PubChem (CID 5044387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).