N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide

C7H16N2O2 — CID 74859890

IUPACN'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide
SMILESCC(C)(C)OCCC(N)=NO
InChIInChI=1S/C7H16N2O2/c1-7(2,3)11-5-4-6(8)9-10/h10H,4-5H2,1-3H3,(H2,8,9)
InChIKeyVCRLSGZBUOGPOK-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.94
Rot. Bonds3

About N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide

N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide (PubChem CID 74859890) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide
PubChem CID74859890
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC NameN'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide
SMILESCC(C)(C)OCCC(N)=NO
InChIInChI=1S/C7H16N2O2/c1-7(2,3)11-5-4-6(8)9-10/h10H,4-5H2,1-3H3,(H2,8,9)
InChIKeyVCRLSGZBUOGPOK-UHFFFAOYSA-N
XLogP0.94
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-3-[(2-methylpropan-2-yl)oxy]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide (CID 74859890) is N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide is CC(C)(C)OCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide?
The InChIKey is VCRLSGZBUOGPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2,3)11-5-4-6(8)9-10/h10H,4-5H2,1-3H3,(H2,8,9).
What are the key properties of N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide?
N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide has a molecular weight of 160.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide is sourced from PubChem (CID 74859890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).