N-methoxy-N-methylmethanamine oxide

C3H9NO2 — CID 18929186

IUPACN-methoxy-N-methylmethanamine oxide
SMILESCO[N+](C)(C)[O-]
InChIInChI=1S/C3H9NO2/c1-4(2,5)6-3/h1-3H3
InChIKeyAKNPCKWEGHMTSF-UHFFFAOYSA-N
MW91.11 g/mol
LogP0.12
Rot. Bonds1

About N-methoxy-N-methylmethanamine oxide

N-methoxy-N-methylmethanamine oxide (PubChem CID 18929186) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is N-methoxy-N-methylmethanamine oxide.

Molecular Properties

Compound NameN-methoxy-N-methylmethanamine oxide
PubChem CID18929186
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC NameN-methoxy-N-methylmethanamine oxide
SMILESCO[N+](C)(C)[O-]
InChIInChI=1S/C3H9NO2/c1-4(2,5)6-3/h1-3H3
InChIKeyAKNPCKWEGHMTSF-UHFFFAOYSA-N
XLogP0.12
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylmethanamine oxide?
The IUPAC name of N-methoxy-N-methylmethanamine oxide (CID 18929186) is N-methoxy-N-methylmethanamine oxide.
What is the SMILES notation for N-methoxy-N-methylmethanamine oxide?
The canonical SMILES for N-methoxy-N-methylmethanamine oxide is CO[N+](C)(C)[O-].
What is the InChIKey of N-methoxy-N-methylmethanamine oxide?
The InChIKey is AKNPCKWEGHMTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2/c1-4(2,5)6-3/h1-3H3.
What are the key properties of N-methoxy-N-methylmethanamine oxide?
N-methoxy-N-methylmethanamine oxide has a molecular weight of 91.11 g/mol, XLogP of 0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylmethanamine oxide is sourced from PubChem (CID 18929186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).