N'-hydroxy-3-methylbenzenecarboximidamide

C16H20N4O2 — CID 162202893

IUPACN'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(C(N)=NO)c1.Cc1cccc(C(N)=NO)c1
InChIInChI=1S/2C8H10N2O/c2*1-6-3-2-4-7(5-6)8(9)10-11/h2*2-5,11H,1H3,(H2,9,10)
InChIKeyZRUWGUKRHCQUDJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.18
Rot. Bonds2

About N'-hydroxy-3-methylbenzenecarboximidamide

N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 162202893) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID162202893
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(C(N)=NO)c1.Cc1cccc(C(N)=NO)c1
InChIInChI=1S/2C8H10N2O/c2*1-6-3-2-4-7(5-6)8(9)10-11/h2*2-5,11H,1H3,(H2,9,10)
InChIKeyZRUWGUKRHCQUDJ-UHFFFAOYSA-N
XLogP2.18
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'-tert-butyl-3-methylbenzenecarboximidamide
CID 63181411
N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide
CID 54934539
N'-hydroxy-3-phenylbenzenecarboximidamide
CID 6023857
ethane;N'-hydrazinyl-3-methylbenzenecarboximidamide;toluene
CID 143457159
3-[(1R)-1-aminoethyl]-N'-hydroxybenzenecarboximidamide
CID 172793905
N'-hydroxy-3-(1-hydroxyethyl)benzenecarboximidamide
CID 87091093
3-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 76984290
3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 61244530
[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide
CID 174011706
N'-hydroxy-3-methylsulfonylbenzenecarboximidamide
CID 76685351

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methylbenzenecarboximidamide (CID 162202893) is N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(C(N)=NO)c1.Cc1cccc(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is ZRUWGUKRHCQUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10N2O/c2*1-6-3-2-4-7(5-6)8(9)10-11/h2*2-5,11H,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-methylbenzenecarboximidamide?
N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 300.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 162202893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).