N'-hydroxy-2-methylpropanimidamide

C4H10N2O — CID 2794833

IUPACN'-hydroxy-2-methylpropanimidamide
SMILESCC(C)C(N)=NO
InChIInChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChIKeyJHRDEHLFNLLCQS-UHFFFAOYSA-N
MW102.14 g/mol
LogP0.39
Rot. Bonds1

About N'-hydroxy-2-methylpropanimidamide

N'-hydroxy-2-methylpropanimidamide (PubChem CID 2794833) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methylpropanimidamide
PubChem CID2794833
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC NameN'-hydroxy-2-methylpropanimidamide
SMILESCC(C)C(N)=NO
InChIInChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChIKeyJHRDEHLFNLLCQS-UHFFFAOYSA-N
XLogP0.39
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze N'-hydroxy-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-2-methylpropanimidamide (CID 2794833) is N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-2-methylpropanimidamide is CC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methylpropanimidamide?
The InChIKey is JHRDEHLFNLLCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6).
What are the key properties of N'-hydroxy-2-methylpropanimidamide?
N'-hydroxy-2-methylpropanimidamide has a molecular weight of 102.14 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 2794833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).