N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide

C6H16N2O5 — CID 163584833

IUPACN'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide
SMILESCOO[NH+]([O-])CC[NH+]([O-])OC(C)C
InChIInChI=1S/C6H16N2O5/c1-6(2)12-7(9)4-5-8(10)13-11-3/h6-8H,4-5H2,1-3H3
InChIKeyGKPNANGIQBWZKU-UHFFFAOYSA-N
MW196.20 g/mol
LogP-2.42
Rot. Bonds7

About N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide

N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide (PubChem CID 163584833) has the molecular formula C6H16N2O5 and a molecular weight of 196.20 g/mol. Its IUPAC name is N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide.

Molecular Properties

Compound NameN'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide
PubChem CID163584833
Molecular FormulaC6H16N2O5
Molecular Weight196.20 g/mol
Exact Mass196.11
IUPAC NameN'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide
SMILESCOO[NH+]([O-])CC[NH+]([O-])OC(C)C
InChIInChI=1S/C6H16N2O5/c1-6(2)12-7(9)4-5-8(10)13-11-3/h6-8H,4-5H2,1-3H3
InChIKeyGKPNANGIQBWZKU-UHFFFAOYSA-N
XLogP-2.42
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-2.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[oxido-[oxido(propan-2-yloxy)azaniumyl]peroxyazaniumyl]oxypropane
CID 163832329
N-[methylperoxy(oxido)azaniumyl]iodanuidylmethanamine oxide
CID 163419718
4-methoxy-3-methylbutanoate
CID 22362636
3-[ethoxy(dimethoxy)silyl]-N-ethyl-2-methylpropan-1-amine
CID 87148953
tetrakis(2-hydroxyacetate);titanium(4+);3,3,3-tri(propan-2-yloxy)prop-1-ene
CID 159518694
2-hydroxyacetate;tri(propan-2-yl)azanium
CID 139301397
methyl(propan-2-yloxy)phosphinite
CID 18981685
butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane
CID 157217369
1-methoxy-2,4-bis(methoxymethyl)-5-propan-2-yloxypentane
CID 134479916
dimethoxy-methyl-[2-[methyl-di(propan-2-yloxy)silyl]ethyl]silane
CID 59538216
1-methoxy-2-(methoxymethyl)-4-methylpentane;2-methoxypropane
CID 170161342
CID 158878938
CID 158878938

Frequently Asked Questions

What is the IUPAC name of N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide?
The IUPAC name of N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide (CID 163584833) is N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide.
What is the SMILES notation for N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide?
The canonical SMILES for N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide is COO[NH+]([O-])CC[NH+]([O-])OC(C)C.
What is the InChIKey of N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide?
The InChIKey is GKPNANGIQBWZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O5/c1-6(2)12-7(9)4-5-8(10)13-11-3/h6-8H,4-5H2,1-3H3.
What are the key properties of N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide?
N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide has a molecular weight of 196.20 g/mol, XLogP of -2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylperoxy-N-propan-2-yloxyethane-1,2-diamine oxide is sourced from PubChem (CID 163584833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).