N'-hydroxy-2-propoxyethanimidamide

C5H12N2O2 — CID 86673652

IUPACN'-hydroxy-2-propoxyethanimidamide
SMILESCCCOC/C(N)=N\O
InChIInChI=1S/C5H12N2O2/c1-2-3-9-4-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyHUJNBWNUOKQMSX-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.16
Rot. Bonds4

About N'-hydroxy-2-propoxyethanimidamide

N'-hydroxy-2-propoxyethanimidamide (PubChem CID 86673652) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is N'-hydroxy-2-propoxyethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-propoxyethanimidamide
PubChem CID86673652
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC NameN'-hydroxy-2-propoxyethanimidamide
SMILESCCCOC/C(N)=N\O
InChIInChI=1S/C5H12N2O2/c1-2-3-9-4-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyHUJNBWNUOKQMSX-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 N'-hydroxy-2-propoxyethanimidamide?
The IUPAC name of N'-hydroxy-2-propoxyethanimidamide (CID 86673652) is N'-hydroxy-2-propoxyethanimidamide.
What is the SMILES notation for N'-hydroxy-2-propoxyethanimidamide?
The canonical SMILES for N'-hydroxy-2-propoxyethanimidamide is CCCOC/C(N)=N\O.
What is the InChIKey of N'-hydroxy-2-propoxyethanimidamide?
The InChIKey is HUJNBWNUOKQMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-2-3-9-4-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7).
What are the key properties of N'-hydroxy-2-propoxyethanimidamide?
N'-hydroxy-2-propoxyethanimidamide 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 N'-hydroxy-2-propoxyethanimidamide is sourced from PubChem (CID 86673652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).