N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide

C10H21N3O2 — CID 76910787

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)CC(C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-7(2)10(14)13(4)6-8(3)9(11)12-15/h7-8,15H,5-6H2,1-4H3,(H2,11,12)
InChIKeyWADUXEOGYPMPOV-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.87
Rot. Bonds5

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide (PubChem CID 76910787) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
PubChem CID76910787
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)CC(C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-7(2)10(14)13(4)6-8(3)9(11)12-15/h7-8,15H,5-6H2,1-4H3,(H2,11,12)
InChIKeyWADUXEOGYPMPOV-UHFFFAOYSA-N
XLogP0.87
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.87
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-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide
CID 76910816
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
CID 76925488
3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82927481
tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate
CID 75834024
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 76910906
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 76937574
N-ethyl-N,2-dimethylbutanamide
CID 89343843
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002899
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010
N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
CID 43272171
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide
CID 77057561
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide (CID 76910787) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide is CCC(C)C(=O)N(C)CC(C)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide?
The InChIKey is WADUXEOGYPMPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-7(2)10(14)13(4)6-8(3)9(11)12-15/h7-8,15H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide has a molecular weight of 215.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 76910787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).