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

C11H17N3O — CID 43263456

IUPAC4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCN(C)Cc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H17N3O/c1-3-14(2)8-9-4-6-10(7-5-9)11(12)13-15/h4-7,15H,3,8H2,1-2H3,(H2,12,13)
InChIKeyYOPUXEPKVFUSNN-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.23
Rot. Bonds4

About 4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 43263456) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID43263456
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCN(C)Cc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H17N3O/c1-3-14(2)8-9-4-6-10(7-5-9)11(12)13-15/h4-7,15H,3,8H2,1-2H3,(H2,12,13)
InChIKeyYOPUXEPKVFUSNN-UHFFFAOYSA-N
XLogP1.23
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.23
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

4-[[3-(dimethylamino)propyl-ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102993661
4-[[cyclohexylmethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904274
N'-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 112660110
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910054
N'-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzenecarboximidamide
CID 24703247
4-[(N-ethyl-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76931366
N'-hydroxy-4-[[methyl-(4-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904120
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-N-methoxypropanamide
CID 172972497
N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide
CID 76947328
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 54999768

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 43263456) is 4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is CCN(C)Cc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is YOPUXEPKVFUSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-14(2)8-9-4-6-10(7-5-9)11(12)13-15/h4-7,15H,3,8H2,1-2H3,(H2,12,13).
What are the key properties of 4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 207.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43263456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).