N'-hydroxy-4,4-dimethoxybutanimidamide

C6H14N2O3 — CID 5243972

IUPACN'-hydroxy-4,4-dimethoxybutanimidamide
SMILESCOC(CCC(N)=NO)OC
InChIInChI=1S/C6H14N2O3/c1-10-6(11-2)4-3-5(7)8-9/h6,9H,3-4H2,1-2H3,(H2,7,8)
InChIKeyQZIMCWPERLVJII-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.13
Rot. Bonds5

About N'-hydroxy-4,4-dimethoxybutanimidamide

N'-hydroxy-4,4-dimethoxybutanimidamide (PubChem CID 5243972) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is N'-hydroxy-4,4-dimethoxybutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4,4-dimethoxybutanimidamide
PubChem CID5243972
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC NameN'-hydroxy-4,4-dimethoxybutanimidamide
SMILESCOC(CCC(N)=NO)OC
InChIInChI=1S/C6H14N2O3/c1-10-6(11-2)4-3-5(7)8-9/h6,9H,3-4H2,1-2H3,(H2,7,8)
InChIKeyQZIMCWPERLVJII-UHFFFAOYSA-N
XLogP0.13
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-4,4-dimethoxybutanimidamide?
The IUPAC name of N'-hydroxy-4,4-dimethoxybutanimidamide (CID 5243972) is N'-hydroxy-4,4-dimethoxybutanimidamide.
What is the SMILES notation for N'-hydroxy-4,4-dimethoxybutanimidamide?
The canonical SMILES for N'-hydroxy-4,4-dimethoxybutanimidamide is COC(CCC(N)=NO)OC.
What is the InChIKey of N'-hydroxy-4,4-dimethoxybutanimidamide?
The InChIKey is QZIMCWPERLVJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c1-10-6(11-2)4-3-5(7)8-9/h6,9H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of N'-hydroxy-4,4-dimethoxybutanimidamide?
N'-hydroxy-4,4-dimethoxybutanimidamide has a molecular weight of 162.19 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,4-dimethoxybutanimidamide is sourced from PubChem (CID 5243972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).