3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide

C10H14N2O3 — CID 145422329

IUPAC3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide
SMILESCOC(OC)c1cccc(C(N)=NO)c1
InChIInChI=1S/C10H14N2O3/c1-14-10(15-2)8-5-3-4-7(6-8)9(11)12-13/h3-6,10,13H,1-2H3,(H2,11,12)
InChIKeyRISRLPACMWYLCG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds4

About 3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide

3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 145422329) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID145422329
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide
SMILESCOC(OC)c1cccc(C(N)=NO)c1
InChIInChI=1S/C10H14N2O3/c1-14-10(15-2)8-5-3-4-7(6-8)9(11)12-13/h3-6,10,13H,1-2H3,(H2,11,12)
InChIKeyRISRLPACMWYLCG-UHFFFAOYSA-N
XLogP1.07
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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

3-[(1R)-1-aminoethyl]-N'-hydroxybenzenecarboximidamide
CID 172793905
N'-hydroxy-3-(1-hydroxyethyl)benzenecarboximidamide
CID 87091093
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
ethane;methyl 3-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 143509300
3-[methoxy(methoxymethoxy)methyl]benzamide
CID 91348805
N'-hydroxy-3-prop-1-ynylbenzenecarboximidamide
CID 174011706
N'-hydroxy-4-(1-methoxyethyl)benzenecarboximidamide
CID 146558582
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
CID 141009945
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586
N'-hydroxy-3-phenylbenzenecarboximidamide
CID 6023857
N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 43111282

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide (CID 145422329) is 3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide is COC(OC)c1cccc(C(N)=NO)c1.
What is the InChIKey of 3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is RISRLPACMWYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-10(15-2)8-5-3-4-7(6-8)9(11)12-13/h3-6,10,13H,1-2H3,(H2,11,12).
What are the key properties of 3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide?
3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 210.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 145422329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).