4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C11H25N3O — CID 77062836

IUPAC4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCN(CCC(C)(C)C(N)=NO)C(C)C
InChIInChI=1S/C11H25N3O/c1-6-14(9(2)3)8-7-11(4,5)10(12)13-15/h9,15H,6-8H2,1-5H3,(H2,12,13)
InChIKeyNOWKAZVMFWEGNF-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.88
Rot. Bonds6

About 4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062836) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062836
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCN(CCC(C)(C)C(N)=NO)C(C)C
InChIInChI=1S/C11H25N3O/c1-6-14(9(2)3)8-7-11(4,5)10(12)13-15/h9,15H,6-8H2,1-5H3,(H2,12,13)
InChIKeyNOWKAZVMFWEGNF-UHFFFAOYSA-N
XLogP1.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062836) is 4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CCN(CCC(C)(C)C(N)=NO)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is NOWKAZVMFWEGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-6-14(9(2)3)8-7-11(4,5)10(12)13-15/h9,15H,6-8H2,1-5H3,(H2,12,13).
What are the key properties of 4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).