1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine

C6H16N2O6 — CID 54068302

IUPAC1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine
SMILESCN(C)C(OO)OOC(OO)N(C)C
InChIInChI=1S/C6H16N2O6/c1-7(2)5(11-9)13-14-6(12-10)8(3)4/h5-6,9-10H,1-4H3
InChIKeyMEPNAXFAFNPFTE-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.40
Rot. Bonds7

About 1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine

1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine (PubChem CID 54068302) has the molecular formula C6H16N2O6 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine
PubChem CID54068302
Molecular FormulaC6H16N2O6
Molecular Weight212.20 g/mol
Exact Mass212.10
IUPAC Name1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine
SMILESCN(C)C(OO)OOC(OO)N(C)C
InChIInChI=1S/C6H16N2O6/c1-7(2)5(11-9)13-14-6(12-10)8(3)4/h5-6,9-10H,1-4H3
InChIKeyMEPNAXFAFNPFTE-UHFFFAOYSA-N
XLogP-0.40
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine?
The IUPAC name of 1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine (CID 54068302) is 1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine?
The canonical SMILES for 1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine is CN(C)C(OO)OOC(OO)N(C)C.
What is the InChIKey of 1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine?
The InChIKey is MEPNAXFAFNPFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O6/c1-7(2)5(11-9)13-14-6(12-10)8(3)4/h5-6,9-10H,1-4H3.
What are the key properties of 1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine?
1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine has a molecular weight of 212.20 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine is sourced from PubChem (CID 54068302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).