N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide

C14H23N3O — CID 107929771

IUPACN'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide
SMILESCCC(CC)N(C)c1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C14H23N3O/c1-5-11(6-2)17(4)13-8-7-10(3)9-12(13)14(15)16-18/h7-9,11,18H,5-6H2,1-4H3,(H2,15,16)
InChIKeyDIIKHHIFBRSTFK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.71
Rot. Bonds5

About N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide

N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide (PubChem CID 107929771) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide
PubChem CID107929771
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide
SMILESCCC(CC)N(C)c1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C14H23N3O/c1-5-11(6-2)17(4)13-8-7-10(3)9-12(13)14(15)16-18/h7-9,11,18H,5-6H2,1-4H3,(H2,15,16)
InChIKeyDIIKHHIFBRSTFK-UHFFFAOYSA-N
XLogP2.71
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.71
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

N'-hydroxy-2-[2-hydroxyethyl(pentan-3-yl)amino]-5-methylbenzenecarboximidamide
CID 107929847
2-[butyl(ethyl)amino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929726
3-bromo-N'-hydroxy-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 82798849
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929934
N'-hydroxy-5-methyl-2-[methyl(2-methylsulfanylethyl)amino]benzenecarboximidamide
CID 114017229
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938948
2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929880
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-5-methylbenzenecarboximidamide
CID 107929997
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929799
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929819
5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004439

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide (CID 107929771) is N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide is CCC(CC)N(C)c1ccc(C)cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide?
The InChIKey is DIIKHHIFBRSTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-11(6-2)17(4)13-8-7-10(3)9-12(13)14(15)16-18/h7-9,11,18H,5-6H2,1-4H3,(H2,15,16).
What are the key properties of N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide?
N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide has a molecular weight of 249.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-2-[methyl(pentan-3-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 107929771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).