3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

C11H25N3O — CID 82927481

IUPAC3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCC(CC)CN(C)CC(C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-5-10(6-2)8-14(4)7-9(3)11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyHBEOVBPIXPEHDV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.74
Rot. Bonds7

About 3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 82927481) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID82927481
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCC(CC)CN(C)CC(C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-5-10(6-2)8-14(4)7-9(3)11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13)
InChIKeyHBEOVBPIXPEHDV-UHFFFAOYSA-N
XLogP1.74
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.74
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-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
CID 43272171
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910844
N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide
CID 103954998
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide
CID 76910816
N'-hydroxy-3-[(4-iodophenyl)methyl-methylamino]-2-methylpropanimidamide
CID 77070215
3-[(2-bromo-5-fluorophenyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992078
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
CID 76910929
N'-hydroxy-2-methyl-3-[methyl(2-phenoxyethyl)amino]propanimidamide
CID 76914446
3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide
CID 43369057
3-[(5-bromothiophen-3-yl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910061
3-[(5-fluoro-3-pyridinyl)methyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 114084409

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 82927481) is 3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCC(CC)CN(C)CC(C)C(N)=NO.
What is the InChIKey of 3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is HBEOVBPIXPEHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-10(6-2)8-14(4)7-9(3)11(12)13-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13).
What are the key properties of 3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 82927481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).