N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide

C10H18N4O4 — CID 135603899

IUPACN,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide
SMILESCC(C)(C=NO)/[N+]([O-])=C/C=[N+](\[O-])C(C)(C)C=NO
InChIInChI=1S/C10H18N4O4/c1-9(2,7-11-15)13(17)5-6-14(18)10(3,4)8-12-16/h5-8,15-16H,1-4H3/b11-7?,12-8?,13-5-,14-6-
InChIKeyZAYVCYLYBYGFOQ-JUQHASQISA-N
MW258.28 g/mol
LogP0.63
Rot. Bonds5

About N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide

N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide (PubChem CID 135603899) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide
PubChem CID135603899
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC NameN,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide
SMILESCC(C)(C=NO)/[N+]([O-])=C/C=[N+](\[O-])C(C)(C)C=NO
InChIInChI=1S/C10H18N4O4/c1-9(2,7-11-15)13(17)5-6-14(18)10(3,4)8-12-16/h5-8,15-16H,1-4H3/b11-7?,12-8?,13-5-,14-6-
InChIKeyZAYVCYLYBYGFOQ-JUQHASQISA-N
XLogP0.63
TPSA117.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-N-(1-hydroxyimino-2-methylpropan-2-yl)methanimine oxide
CID 657496
1-(furan-2-yl)-N-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide
CID 6881174
1-[4-(dimethylamino)phenyl]-N-[(1Z)-1-hydroxyimino-2-methylpropan-2-yl]methanimine oxide
CID 5407754
N-(1-hydroxyimino-2-methylpropan-2-yl)-1-(3-nitrophenyl)methanimine oxide
CID 3351502
N-(2-amino-2-methylpropylidene)hydroxylamine
CID 5151005
N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine
CID 15436
[4-(dimethylamino)phenyl]methylidene-hydroxy-(1-hydroxyimino-2-methylpropan-2-yl)azanium
CID 23937511
(NZ)-N-(2-methyl-2-methylsulfinylpropylidene)hydroxylamine
CID 5367981
N-[2-methyl-2-(5-methyl-4-nitroimidazol-1-yl)propylidene]hydroxylamine
CID 152759406
(NE)-N-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]hydroxylamine
CID 121006548
N-tert-butyl-2,2-dimethylpropan-1-imine oxide
CID 12555481
tert-butyl nitrate;nitrous acid
CID 175200282

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide?
The IUPAC name of N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide (CID 135603899) is N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide.
What is the SMILES notation for N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide?
The canonical SMILES for N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide is CC(C)(C=NO)/[N+]([O-])=C/C=[N+](\[O-])C(C)(C)C=NO.
What is the InChIKey of N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide?
The InChIKey is ZAYVCYLYBYGFOQ-JUQHASQISA-N. The full InChI is InChI=1S/C10H18N4O4/c1-9(2,7-11-15)13(17)5-6-14(18)10(3,4)8-12-16/h5-8,15-16H,1-4H3/b11-7?,12-8?,13-5-,14-6-.
What are the key properties of N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide?
N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide has a molecular weight of 258.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-hydroxyimino-2-methylpropan-2-yl)ethane-1,2-diimine oxide is sourced from PubChem (CID 135603899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).