3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide

C7H16N4O2 — CID 106280285

IUPAC3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C/N=C(\N)NO
InChIInChI=1S/C7H16N4O2/c1-7(2,5(12)9-3)4-10-6(8)11-13/h13H,4H2,1-3H3,(H,9,12)(H3,8,10,11)
InChIKeyMHIIWZIGLSPODV-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.95
Rot. Bonds3

About 3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide

3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide (PubChem CID 106280285) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide
PubChem CID106280285
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)C/N=C(\N)NO
InChIInChI=1S/C7H16N4O2/c1-7(2,5(12)9-3)4-10-6(8)11-13/h13H,4H2,1-3H3,(H,9,12)(H3,8,10,11)
InChIKeyMHIIWZIGLSPODV-UHFFFAOYSA-N
XLogP-0.95
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 103822795
3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide
CID 106280332
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
CID 110031718
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072569
3-amino-N,2,2-trimethylpropanamide;hydrochloride
CID 22364426
3-[[hydrazinyl-(3-methoxypropylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 106280948
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110920182
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 114167670
2-(diaminomethylideneamino)-N,2-dimethylpropanamide
CID 130631342
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide (CID 106280285) is 3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)C/N=C(\N)NO.
What is the InChIKey of 3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide?
The InChIKey is MHIIWZIGLSPODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-7(2,5(12)9-3)4-10-6(8)11-13/h13H,4H2,1-3H3,(H,9,12)(H3,8,10,11).
What are the key properties of 3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide?
3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide has a molecular weight of 188.23 g/mol, XLogP of -0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(hydroxyamino)methylidene]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).