N,N-dimethyl-1,1-bis(methylperoxy)methanamine

C5H13NO4 — CID 23441001

IUPACN,N-dimethyl-1,1-bis(methylperoxy)methanamine
SMILESCOOC(OOC)N(C)C
InChIInChI=1S/C5H13NO4/c1-6(2)5(9-7-3)10-8-4/h5H,1-4H3
InChIKeyYFKAOVPMZLHAFC-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.01
Rot. Bonds5

About N,N-dimethyl-1,1-bis(methylperoxy)methanamine

N,N-dimethyl-1,1-bis(methylperoxy)methanamine (PubChem CID 23441001) has the molecular formula C5H13NO4 and a molecular weight of 151.16 g/mol. Its IUPAC name is N,N-dimethyl-1,1-bis(methylperoxy)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1,1-bis(methylperoxy)methanamine
PubChem CID23441001
Molecular FormulaC5H13NO4
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC NameN,N-dimethyl-1,1-bis(methylperoxy)methanamine
SMILESCOOC(OOC)N(C)C
InChIInChI=1S/C5H13NO4/c1-6(2)5(9-7-3)10-8-4/h5H,1-4H3
InChIKeyYFKAOVPMZLHAFC-UHFFFAOYSA-N
XLogP-0.01
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

1-[dimethylamino(hydroperoxy)methyl]peroxy-1-hydroperoxy-N,N-dimethylmethanamine
CID 54068302
N,N-dimethyl-1-methylperoxymethanamine
CID 59085184
N-(methoxyperoxymethyl)-N-methyl-1-(trioxidanyl)methanamine
CID 163935175
N,N-dimethylmethanamine;methoxyperoxymethane
CID 174331253

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,1-bis(methylperoxy)methanamine?
The IUPAC name of N,N-dimethyl-1,1-bis(methylperoxy)methanamine (CID 23441001) is N,N-dimethyl-1,1-bis(methylperoxy)methanamine.
What is the SMILES notation for N,N-dimethyl-1,1-bis(methylperoxy)methanamine?
The canonical SMILES for N,N-dimethyl-1,1-bis(methylperoxy)methanamine is COOC(OOC)N(C)C.
What is the InChIKey of N,N-dimethyl-1,1-bis(methylperoxy)methanamine?
The InChIKey is YFKAOVPMZLHAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4/c1-6(2)5(9-7-3)10-8-4/h5H,1-4H3.
What are the key properties of N,N-dimethyl-1,1-bis(methylperoxy)methanamine?
N,N-dimethyl-1,1-bis(methylperoxy)methanamine has a molecular weight of 151.16 g/mol, XLogP of -0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,1-bis(methylperoxy)methanamine is sourced from PubChem (CID 23441001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).