N'-hydroxy-3,4-dimethylbenzenecarboximidamide

C9H12N2O — CID 43752594

IUPACN'-hydroxy-3,4-dimethylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C9H12N2O/c1-6-3-4-8(5-7(6)2)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11)
InChIKeyXSLDELWKSXCINB-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.40
Rot. Bonds1

About N'-hydroxy-3,4-dimethylbenzenecarboximidamide

N'-hydroxy-3,4-dimethylbenzenecarboximidamide (PubChem CID 43752594) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-hydroxy-3,4-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3,4-dimethylbenzenecarboximidamide
PubChem CID43752594
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN'-hydroxy-3,4-dimethylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C9H12N2O/c1-6-3-4-8(5-7(6)2)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11)
InChIKeyXSLDELWKSXCINB-UHFFFAOYSA-N
XLogP1.40
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.40
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-3,4-dimethylbenzenecarboximidamide 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-3,4-dimethylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3,4-dimethylbenzenecarboximidamide (CID 43752594) is N'-hydroxy-3,4-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3,4-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3,4-dimethylbenzenecarboximidamide is Cc1ccc(/C(N)=N/O)cc1C.
What is the InChIKey of N'-hydroxy-3,4-dimethylbenzenecarboximidamide?
The InChIKey is XSLDELWKSXCINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-3-4-8(5-7(6)2)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-3,4-dimethylbenzenecarboximidamide?
N'-hydroxy-3,4-dimethylbenzenecarboximidamide has a molecular weight of 164.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3,4-dimethylbenzenecarboximidamide is sourced from PubChem (CID 43752594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).