2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide

C13H19N3O2 — CID 107109255

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1N(CCO)C1CC1
InChIInChI=1S/C13H19N3O2/c1-9-3-2-4-11(13(14)15-18)12(9)16(7-8-17)10-5-6-10/h2-4,10,17-18H,5-8H2,1H3,(H2,14,15)
InChIKeyGRZGJRRWWZDGRK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.05
Rot. Bonds5

About 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide

2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109255) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109255
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1N(CCO)C1CC1
InChIInChI=1S/C13H19N3O2/c1-9-3-2-4-11(13(14)15-18)12(9)16(7-8-17)10-5-6-10/h2-4,10,17-18H,5-8H2,1H3,(H2,14,15)
InChIKeyGRZGJRRWWZDGRK-UHFFFAOYSA-N
XLogP1.05
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
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'}

Analyze 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide 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

2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54994907
2-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110139
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307954
2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109104
N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107109142
2-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929848
2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110124
2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109308
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109419
N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107109273
2-[cyclopropyl(cyclopropylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110306
N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide
CID 107109251

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109255) is 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1N(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is GRZGJRRWWZDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-3-2-4-11(13(14)15-18)12(9)16(7-8-17)10-5-6-10/h2-4,10,17-18H,5-8H2,1H3,(H2,14,15).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 249.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).