4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C12H27N3O — CID 77062294

IUPAC4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCN(CCC(C)(C)C(N)=NO)CC(C)(C)C
InChIInChI=1S/C12H27N3O/c1-11(2,3)9-15(6)8-7-12(4,5)10(13)14-16/h16H,7-9H2,1-6H3,(H2,13,14)
InChIKeyBZBGVMCODGSQJS-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.13
Rot. Bonds5

About 4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062294) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062294
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCN(CCC(C)(C)C(N)=NO)CC(C)(C)C
InChIInChI=1S/C12H27N3O/c1-11(2,3)9-15(6)8-7-12(4,5)10(13)14-16/h16H,7-9H2,1-6H3,(H2,13,14)
InChIKeyBZBGVMCODGSQJS-UHFFFAOYSA-N
XLogP2.13
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.13
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-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 77063985
4-[cyclopentylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062332
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
4-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062077
N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
CID 77070479
N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
CID 106710729
5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76928038
N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide
CID 79318759
4-[(2-bromophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062969
4-[ethyl(propan-2-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062836
4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062994
4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061941

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062294) is 4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CN(CCC(C)(C)C(N)=NO)CC(C)(C)C.
What is the InChIKey of 4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is BZBGVMCODGSQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-11(2,3)9-15(6)8-7-12(4,5)10(13)14-16/h16H,7-9H2,1-6H3,(H2,13,14).
What are the key properties of 4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 229.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).