1-hydroperoxy-N,N-dimethylmethanamine

C3H9NO2 — CID 5246236

IUPAC1-hydroperoxy-N,N-dimethylmethanamine
SMILESCN(C)COO
InChIInChI=1S/C3H9NO2/c1-4(2)3-6-5/h5H,3H2,1-2H3
InChIKeyDKHUBYFYCKHNDH-UHFFFAOYSA-N
MW91.11 g/mol
LogP-0.00
Rot. Bonds2

About 1-hydroperoxy-N,N-dimethylmethanamine

1-hydroperoxy-N,N-dimethylmethanamine (PubChem CID 5246236) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is 1-hydroperoxy-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-hydroperoxy-N,N-dimethylmethanamine
PubChem CID5246236
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC Name1-hydroperoxy-N,N-dimethylmethanamine
SMILESCN(C)COO
InChIInChI=1S/C3H9NO2/c1-4(2)3-6-5/h5H,3H2,1-2H3
InChIKeyDKHUBYFYCKHNDH-UHFFFAOYSA-N
XLogP-0.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-N,N-dimethylmethanamine?
The IUPAC name of 1-hydroperoxy-N,N-dimethylmethanamine (CID 5246236) is 1-hydroperoxy-N,N-dimethylmethanamine.
What is the SMILES notation for 1-hydroperoxy-N,N-dimethylmethanamine?
The canonical SMILES for 1-hydroperoxy-N,N-dimethylmethanamine is CN(C)COO.
What is the InChIKey of 1-hydroperoxy-N,N-dimethylmethanamine?
The InChIKey is DKHUBYFYCKHNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2/c1-4(2)3-6-5/h5H,3H2,1-2H3.
What are the key properties of 1-hydroperoxy-N,N-dimethylmethanamine?
1-hydroperoxy-N,N-dimethylmethanamine has a molecular weight of 91.11 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-N,N-dimethylmethanamine is sourced from PubChem (CID 5246236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).