N'-hydroxy-2,6-dimethylbenzenecarboximidamide

C9H12N2O — CID 6299742

IUPACN'-hydroxy-2,6-dimethylbenzenecarboximidamide
SMILESCc1cccc(C)c1/C(N)=N\O
InChIInChI=1S/C9H12N2O/c1-6-4-3-5-7(2)8(6)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11)
InChIKeyNYZORJABIYPFLE-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.40
Rot. Bonds1

About N'-hydroxy-2,6-dimethylbenzenecarboximidamide

N'-hydroxy-2,6-dimethylbenzenecarboximidamide (PubChem CID 6299742) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-hydroxy-2,6-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,6-dimethylbenzenecarboximidamide
PubChem CID6299742
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN'-hydroxy-2,6-dimethylbenzenecarboximidamide
SMILESCc1cccc(C)c1/C(N)=N\O
InChIInChI=1S/C9H12N2O/c1-6-4-3-5-7(2)8(6)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11)
InChIKeyNYZORJABIYPFLE-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'}

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Related Compounds

N'-[(Z)-[amino-(2,6-dimethylphenyl)methylidene]amino]-2,6-dimethylbenzenecarboximidamide;ethane
CID 145320894
N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide
CID 124679312
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]propanamide
CID 107800793
4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 82494160
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3,3-dimethylbutanamide
CID 107800916
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-methoxyacetamide
CID 107800785
1,1-diethyl-3-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]urea
CID 107800954
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
2-chloro-N'-hydroxy-6-(2-methylphenoxy)benzenecarboximidamide
CID 76945119
1-(2,6-dimethylphenyl)ethenamine
CID 70299963
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide
CID 107800790

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,6-dimethylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2,6-dimethylbenzenecarboximidamide (CID 6299742) is N'-hydroxy-2,6-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2,6-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2,6-dimethylbenzenecarboximidamide is Cc1cccc(C)c1/C(N)=N\O.
What is the InChIKey of N'-hydroxy-2,6-dimethylbenzenecarboximidamide?
The InChIKey is NYZORJABIYPFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-4-3-5-7(2)8(6)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2,6-dimethylbenzenecarboximidamide?
N'-hydroxy-2,6-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-2,6-dimethylbenzenecarboximidamide is sourced from PubChem (CID 6299742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).