N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide

C12H19N3O2 — CID 55135155

IUPACN'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
SMILESCOCCN(C)Cc1cccc(C(N)=NO)c1
InChIInChI=1S/C12H19N3O2/c1-15(6-7-17-2)9-10-4-3-5-11(8-10)12(13)14-16/h3-5,8,16H,6-7,9H2,1-2H3,(H2,13,14)
InChIKeyMSJKDUGWTWBPAM-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.86
Rot. Bonds6

About N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide (PubChem CID 55135155) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
PubChem CID55135155
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
SMILESCOCCN(C)Cc1cccc(C(N)=NO)c1
InChIInChI=1S/C12H19N3O2/c1-15(6-7-17-2)9-10-4-3-5-11(8-10)12(13)14-16/h3-5,8,16H,6-7,9H2,1-2H3,(H2,13,14)
InChIKeyMSJKDUGWTWBPAM-UHFFFAOYSA-N
XLogP0.86
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
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

3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
N'-hydroxy-4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114482519
3-[[2-(3-methoxypropoxy)ethyl-methylamino]methyl]benzenecarbothioamide
CID 103179752
3-[[ethylsulfonyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55142319
N'-hydroxy-3-(2-methoxyethylsulfanylmethyl)benzenecarboximidamide
CID 43446126
N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide
CID 103002972
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910058
tert-butyl N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-methylcarbamate
CID 76979061
1,1-diethyl-3-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-methylurea
CID 79161393
3-[[3-(2-methoxyethoxy)propyl-methylamino]methyl]benzenecarbothioamide
CID 103409817
N'-hydroxy-3-[[2-hydroxyethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61424625
N'-hydroxy-3-[[methyl(pentan-2-yl)amino]methyl]benzenecarboximidamide
CID 43572156

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide (CID 55135155) is N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide is COCCN(C)Cc1cccc(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide?
The InChIKey is MSJKDUGWTWBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(6-7-17-2)9-10-4-3-5-11(8-10)12(13)14-16/h3-5,8,16H,6-7,9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide has a molecular weight of 237.30 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 55135155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).