N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide

C6H16N2O3 — CID 163495644

IUPACN-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide
SMILESCOC(C)(C)N(C)O[NH+](C)[O-]
InChIInChI=1S/C6H16N2O3/c1-6(2,10-5)7(3)11-8(4)9/h8H,1-5H3
InChIKeyCQKYBXAGHSXMOQ-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.84
Rot. Bonds4

About N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide

N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide (PubChem CID 163495644) has the molecular formula C6H16N2O3 and a molecular weight of 164.20 g/mol. Its IUPAC name is N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide.

Molecular Properties

Compound NameN-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide
PubChem CID163495644
Molecular FormulaC6H16N2O3
Molecular Weight164.20 g/mol
Exact Mass164.12
IUPAC NameN-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide
SMILESCOC(C)(C)N(C)O[NH+](C)[O-]
InChIInChI=1S/C6H16N2O3/c1-6(2,10-5)7(3)11-8(4)9/h8H,1-5H3
InChIKeyCQKYBXAGHSXMOQ-UHFFFAOYSA-N
XLogP-0.84
TPSA49.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide?
The IUPAC name of N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide (CID 163495644) is N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide.
What is the SMILES notation for N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide?
The canonical SMILES for N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide is COC(C)(C)N(C)O[NH+](C)[O-].
What is the InChIKey of N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide?
The InChIKey is CQKYBXAGHSXMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3/c1-6(2,10-5)7(3)11-8(4)9/h8H,1-5H3.
What are the key properties of N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide?
N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide has a molecular weight of 164.20 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxypropan-2-yl(methyl)amino]oxymethanamine oxide is sourced from PubChem (CID 163495644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).