4-ethoxy-N'-hydroxybutanimidamide

C6H14N2O2 — CID 24694569

IUPAC4-ethoxy-N'-hydroxybutanimidamide
SMILESCCOCCC/C(N)=N/O
InChIInChI=1S/C6H14N2O2/c1-2-10-5-3-4-6(7)8-9/h9H,2-5H2,1H3,(H2,7,8)
InChIKeyVFFWTZYRDRSXGT-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.55
Rot. Bonds5

About 4-ethoxy-N'-hydroxybutanimidamide

4-ethoxy-N'-hydroxybutanimidamide (PubChem CID 24694569) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-ethoxy-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-ethoxy-N'-hydroxybutanimidamide
PubChem CID24694569
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name4-ethoxy-N'-hydroxybutanimidamide
SMILESCCOCCC/C(N)=N/O
InChIInChI=1S/C6H14N2O2/c1-2-10-5-3-4-6(7)8-9/h9H,2-5H2,1H3,(H2,7,8)
InChIKeyVFFWTZYRDRSXGT-UHFFFAOYSA-N
XLogP0.55
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.55
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 4-ethoxy-N'-hydroxybutanimidamide?
The IUPAC name of 4-ethoxy-N'-hydroxybutanimidamide (CID 24694569) is 4-ethoxy-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-ethoxy-N'-hydroxybutanimidamide?
The canonical SMILES for 4-ethoxy-N'-hydroxybutanimidamide is CCOCCC/C(N)=N/O.
What is the InChIKey of 4-ethoxy-N'-hydroxybutanimidamide?
The InChIKey is VFFWTZYRDRSXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-2-10-5-3-4-6(7)8-9/h9H,2-5H2,1H3,(H2,7,8).
What are the key properties of 4-ethoxy-N'-hydroxybutanimidamide?
4-ethoxy-N'-hydroxybutanimidamide has a molecular weight of 146.19 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-hydroxybutanimidamide is sourced from PubChem (CID 24694569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).