N,N-dimethyl-1-methylperoxymethanamine

C4H11NO2 — CID 59085184

IUPACN,N-dimethyl-1-methylperoxymethanamine
SMILESCOOCN(C)C
InChIInChI=1S/C4H11NO2/c1-5(2)4-7-6-3/h4H2,1-3H3
InChIKeyXQXCBHBPIJVOEL-UHFFFAOYSA-N
MW105.14 g/mol
LogP0.08
Rot. Bonds3

About N,N-dimethyl-1-methylperoxymethanamine

N,N-dimethyl-1-methylperoxymethanamine (PubChem CID 59085184) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is N,N-dimethyl-1-methylperoxymethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-methylperoxymethanamine
PubChem CID59085184
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC NameN,N-dimethyl-1-methylperoxymethanamine
SMILESCOOCN(C)C
InChIInChI=1S/C4H11NO2/c1-5(2)4-7-6-3/h4H2,1-3H3
InChIKeyXQXCBHBPIJVOEL-UHFFFAOYSA-N
XLogP0.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N,N-dimethyl-1-methylperoxymethanamine?
The IUPAC name of N,N-dimethyl-1-methylperoxymethanamine (CID 59085184) is N,N-dimethyl-1-methylperoxymethanamine.
What is the SMILES notation for N,N-dimethyl-1-methylperoxymethanamine?
The canonical SMILES for N,N-dimethyl-1-methylperoxymethanamine is COOCN(C)C.
What is the InChIKey of N,N-dimethyl-1-methylperoxymethanamine?
The InChIKey is XQXCBHBPIJVOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-5(2)4-7-6-3/h4H2,1-3H3.
What are the key properties of N,N-dimethyl-1-methylperoxymethanamine?
N,N-dimethyl-1-methylperoxymethanamine has a molecular weight of 105.14 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-methylperoxymethanamine is sourced from PubChem (CID 59085184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).