4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

C15H23N3O3 — CID 106789360

IUPAC4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOCCN(Cc1ccc(/C(N)=N/O)c(OC)c1)C1CC1
InChIInChI=1S/C15H23N3O3/c1-20-8-7-18(12-4-5-12)10-11-3-6-13(15(16)17-19)14(9-11)21-2/h3,6,9,12,19H,4-5,7-8,10H2,1-2H3,(H2,16,17)
InChIKeyINJAXEPNYBQQJO-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.40
Rot. Bonds8

About 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 106789360) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID106789360
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOCCN(Cc1ccc(/C(N)=N/O)c(OC)c1)C1CC1
InChIInChI=1S/C15H23N3O3/c1-20-8-7-18(12-4-5-12)10-11-3-6-13(15(16)17-19)14(9-11)21-2/h3,6,9,12,19H,4-5,7-8,10H2,1-2H3,(H2,16,17)
InChIKeyINJAXEPNYBQQJO-UHFFFAOYSA-N
XLogP1.40
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[cyclobutyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790084
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106785333
N'-hydroxy-2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]benzenecarboximidamide
CID 106789335
4-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788723
N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
CID 106790372
4-[[cyclobutylmethyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789379
5-[[cyclopropyl(2-methoxyethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879268
4-[[2-ethoxyethyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789872
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790755
N'-hydroxy-4-[[2-hydroxypropyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106789378
4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106791816
N'-hydroxy-2-methoxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 106789337

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 106789360) is 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is COCCN(Cc1ccc(/C(N)=N/O)c(OC)c1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is INJAXEPNYBQQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-8-7-18(12-4-5-12)10-11-3-6-13(15(16)17-19)14(9-11)21-2/h3,6,9,12,19H,4-5,7-8,10H2,1-2H3,(H2,16,17).
What are the key properties of 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide has a molecular weight of 293.37 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106789360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).