N'-hydroxy-2,2-dimethylpropanimidamide

C5H12N2O — CID 2794841

IUPACN'-hydroxy-2,2-dimethylpropanimidamide
SMILESCC(C)(C)C(N)=NO
InChIInChI=1S/C5H12N2O/c1-5(2,3)4(6)7-8/h8H,1-3H3,(H2,6,7)
InChIKeyCVOGFMYWFRFWEQ-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.78
Rot. Bonds

About N'-hydroxy-2,2-dimethylpropanimidamide

N'-hydroxy-2,2-dimethylpropanimidamide (PubChem CID 2794841) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethylpropanimidamide
PubChem CID2794841
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN'-hydroxy-2,2-dimethylpropanimidamide
SMILESCC(C)(C)C(N)=NO
InChIInChI=1S/C5H12N2O/c1-5(2,3)4(6)7-8/h8H,1-3H3,(H2,6,7)
InChIKeyCVOGFMYWFRFWEQ-UHFFFAOYSA-N
XLogP0.78
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.78
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-2,2-dimethylpropanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 2794833
CID 2794833
CID 9582835
CID 9582835
CID 9582836
CID 9582836
CID 5712089
CID 5712089
CID 88873900
CID 88873900
CID 58456675
CID 58456675
CID 76791378
CID 76791378
CID 86710503
CID 86710503
CID 165518527
CID 165518527
CID 168025891
CID 168025891
CID 168025892
CID 168025892
CID 5712093
CID 5712093

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethylpropanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethylpropanimidamide (CID 2794841) is N'-hydroxy-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethylpropanimidamide is CC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethylpropanimidamide?
The InChIKey is CVOGFMYWFRFWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(2,3)4(6)7-8/h8H,1-3H3,(H2,6,7).
What are the key properties of N'-hydroxy-2,2-dimethylpropanimidamide?
N'-hydroxy-2,2-dimethylpropanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethylpropanimidamide is sourced from PubChem (CID 2794841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).