2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide

C14H23N3O — CID 107929726

IUPAC2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCCCCN(CC)c1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C14H23N3O/c1-4-6-9-17(5-2)13-8-7-11(3)10-12(13)14(15)16-18/h7-8,10,18H,4-6,9H2,1-3H3,(H2,15,16)
InChIKeyHLOQEUAIWIURKL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.72
Rot. Bonds6

About 2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide

2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107929726) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107929726
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCCCCN(CC)c1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C14H23N3O/c1-4-6-9-17(5-2)13-8-7-11(3)10-12(13)14(15)16-18/h7-8,10,18H,4-6,9H2,1-3H3,(H2,15,16)
InChIKeyHLOQEUAIWIURKL-UHFFFAOYSA-N
XLogP2.72
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.72
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'}

Analyze 2-[butyl(ethyl)amino]-N'-hydroxy-5-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-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 107929771
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929934
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107929847
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
N'-hydroxy-5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 114017229
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
CID 76938893
2-butylsulfanyl-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107931068
2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide
CID 76997817
2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939093
2-bromo-4-[ethyl(3-hydroxypropyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536019

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107929726) is 2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide is CCCCN(CC)c1ccc(C)cc1/C(N)=N/O.
What is the InChIKey of 2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is HLOQEUAIWIURKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-6-9-17(5-2)13-8-7-11(3)10-12(13)14(15)16-18/h7-8,10,18H,4-6,9H2,1-3H3,(H2,15,16).
What are the key properties of 2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide?
2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 249.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107929726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).