3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

C10H15N3O — CID 76979490

IUPAC3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(C)c1cccc(C(N)=NO)c1
InChIInChI=1S/C10H15N3O/c1-3-13(2)9-6-4-5-8(7-9)10(11)12-14/h4-7,14H,3H2,1-2H3,(H2,11,12)
InChIKeyCFZUASHCEZHZBC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.24
Rot. Bonds3

About 3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide

3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 76979490) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID76979490
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(C)c1cccc(C(N)=NO)c1
InChIInChI=1S/C10H15N3O/c1-3-13(2)9-6-4-5-8(7-9)10(11)12-14/h4-7,14H,3H2,1-2H3,(H2,11,12)
InChIKeyCFZUASHCEZHZBC-UHFFFAOYSA-N
XLogP1.24
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 76979492
3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 62971843
N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83156187
N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 76979496
N'-hydroxy-3-[3-imidazol-1-ylpropyl(methyl)amino]benzenecarboximidamide
CID 76979516
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide
CID 103409993
N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide
CID 76979517
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76979499
3-hydroxy-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76979219
1-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 76979261
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932851

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide (CID 76979490) is 3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is CCN(C)c1cccc(C(N)=NO)c1.
What is the InChIKey of 3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is CFZUASHCEZHZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-13(2)9-6-4-5-8(7-9)10(11)12-14/h4-7,14H,3H2,1-2H3,(H2,11,12).
What are the key properties of 3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 193.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76979490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).