N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine

C4H11NO6 — CID 163935175

IUPACN-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine
SMILESCOOOCN(C)COOO
InChIInChI=1S/C4H11NO6/c1-5(3-8-10-6)4-9-11-7-2/h6H,3-4H2,1-2H3
InChIKeyRMCXAVVHJPZSSU-UHFFFAOYSA-N
MW169.13 g/mol
LogP-0.24
Rot. Bonds7

About N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine

N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine (PubChem CID 163935175) has the molecular formula C4H11NO6 and a molecular weight of 169.13 g/mol. Its IUPAC name is N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine.

Molecular Properties

Compound NameN-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine
PubChem CID163935175
Molecular FormulaC4H11NO6
Molecular Weight169.13 g/mol
Exact Mass169.06
IUPAC NameN-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine
SMILESCOOOCN(C)COOO
InChIInChI=1S/C4H11NO6/c1-5(3-8-10-6)4-9-11-7-2/h6H,3-4H2,1-2H3
InChIKeyRMCXAVVHJPZSSU-UHFFFAOYSA-N
XLogP-0.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine?
The IUPAC name of N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine (CID 163935175) is N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine.
What is the SMILES notation for N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine?
The canonical SMILES for N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine is COOOCN(C)COOO.
What is the InChIKey of N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine?
The InChIKey is RMCXAVVHJPZSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO6/c1-5(3-8-10-6)4-9-11-7-2/h6H,3-4H2,1-2H3.
What are the key properties of N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine?
N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine has a molecular weight of 169.13 g/mol, XLogP of -0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine is sourced from PubChem (CID 163935175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).