N-methyl-N-[methyl(methylamino)amino]methanamine oxide

C4H13N3O — CID 163996913

IUPACN-methyl-N-[methyl(methylamino)amino]methanamine oxide
SMILESCNN(C)[N+](C)(C)[O-]
InChIInChI=1S/C4H13N3O/c1-5-6(2)7(3,4)8/h5H,1-4H3
InChIKeyUFMIAXGHVQYMFQ-UHFFFAOYSA-N
MW119.17 g/mol
LogP-0.46
Rot. Bonds2

About N-methyl-N-[methyl(methylamino)amino]methanamine oxide

N-methyl-N-[methyl(methylamino)amino]methanamine oxide (PubChem CID 163996913) has the molecular formula C4H13N3O and a molecular weight of 119.17 g/mol. Its IUPAC name is N-methyl-N-[methyl(methylamino)amino]methanamine oxide.

Molecular Properties

Compound NameN-methyl-N-[methyl(methylamino)amino]methanamine oxide
PubChem CID163996913
Molecular FormulaC4H13N3O
Molecular Weight119.17 g/mol
Exact Mass119.11
IUPAC NameN-methyl-N-[methyl(methylamino)amino]methanamine oxide
SMILESCNN(C)[N+](C)(C)[O-]
InChIInChI=1S/C4H13N3O/c1-5-6(2)7(3,4)8/h5H,1-4H3
InChIKeyUFMIAXGHVQYMFQ-UHFFFAOYSA-N
XLogP-0.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-N-[methyl(methylamino)amino]methanamine oxide?
The IUPAC name of N-methyl-N-[methyl(methylamino)amino]methanamine oxide (CID 163996913) is N-methyl-N-[methyl(methylamino)amino]methanamine oxide.
What is the SMILES notation for N-methyl-N-[methyl(methylamino)amino]methanamine oxide?
The canonical SMILES for N-methyl-N-[methyl(methylamino)amino]methanamine oxide is CNN(C)[N+](C)(C)[O-].
What is the InChIKey of N-methyl-N-[methyl(methylamino)amino]methanamine oxide?
The InChIKey is UFMIAXGHVQYMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3O/c1-5-6(2)7(3,4)8/h5H,1-4H3.
What are the key properties of N-methyl-N-[methyl(methylamino)amino]methanamine oxide?
N-methyl-N-[methyl(methylamino)amino]methanamine oxide has a molecular weight of 119.17 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[methyl(methylamino)amino]methanamine oxide is sourced from PubChem (CID 163996913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).