3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea

C8H18N4O2 — CID 79153319

IUPAC3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea
SMILESCC(C)C(NC(=O)N(C)C)C(N)=NO
InChIInChI=1S/C8H18N4O2/c1-5(2)6(7(9)11-14)10-8(13)12(3)4/h5-6,14H,1-4H3,(H2,9,11)(H,10,13)
InChIKeyHZIGQZOOWIPKAN-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.03
Rot. Bonds3

About 3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea

3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea (PubChem CID 79153319) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea
PubChem CID79153319
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea
SMILESCC(C)C(NC(=O)N(C)C)C(N)=NO
InChIInChI=1S/C8H18N4O2/c1-5(2)6(7(9)11-14)10-8(13)12(3)4/h5-6,14H,1-4H3,(H2,9,11)(H,10,13)
InChIKeyHZIGQZOOWIPKAN-UHFFFAOYSA-N
XLogP0.03
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
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

methyl (2S)-2-(dimethylcarbamoylamino)-3-methylbutanoate
CID 124511602
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 103940490
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpentanamide
CID 77038862
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103022130
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide
CID 114212897
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828708
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
CID 77038778
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 77038541
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide
CID 107940590
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 77038692
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide
CID 77039223
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyloxolane-2-carboxamide
CID 81326944

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea (CID 79153319) is 3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea is CC(C)C(NC(=O)N(C)C)C(N)=NO.
What is the InChIKey of 3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea?
The InChIKey is HZIGQZOOWIPKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c1-5(2)6(7(9)11-14)10-8(13)12(3)4/h5-6,14H,1-4H3,(H2,9,11)(H,10,13).
What are the key properties of 3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea?
3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea has a molecular weight of 202.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea is sourced from PubChem (CID 79153319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).