N-(diethylaminoperoxy)-N-ethylethanamine

C8H20N2O2 — CID 172691752

IUPACN-(diethylaminoperoxy)-N-ethylethanamine
SMILESCCN(CC)OON(CC)CC
InChIInChI=1S/C8H20N2O2/c1-5-9(6-2)11-12-10(7-3)8-4/h5-8H2,1-4H3
InChIKeyBTRZFQORERIKFT-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.45
Rot. Bonds7

About N-(diethylaminoperoxy)-N-ethylethanamine

N-(diethylaminoperoxy)-N-ethylethanamine (PubChem CID 172691752) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(diethylaminoperoxy)-N-ethylethanamine.

Molecular Properties

Compound NameN-(diethylaminoperoxy)-N-ethylethanamine
PubChem CID172691752
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC NameN-(diethylaminoperoxy)-N-ethylethanamine
SMILESCCN(CC)OON(CC)CC
InChIInChI=1S/C8H20N2O2/c1-5-9(6-2)11-12-10(7-3)8-4/h5-8H2,1-4H3
InChIKeyBTRZFQORERIKFT-UHFFFAOYSA-N
XLogP1.45
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(diethylaminoperoxy)-N-ethylethanamine?
The IUPAC name of N-(diethylaminoperoxy)-N-ethylethanamine (CID 172691752) is N-(diethylaminoperoxy)-N-ethylethanamine.
What is the SMILES notation for N-(diethylaminoperoxy)-N-ethylethanamine?
The canonical SMILES for N-(diethylaminoperoxy)-N-ethylethanamine is CCN(CC)OON(CC)CC.
What is the InChIKey of N-(diethylaminoperoxy)-N-ethylethanamine?
The InChIKey is BTRZFQORERIKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-5-9(6-2)11-12-10(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of N-(diethylaminoperoxy)-N-ethylethanamine?
N-(diethylaminoperoxy)-N-ethylethanamine has a molecular weight of 176.26 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylaminoperoxy)-N-ethylethanamine is sourced from PubChem (CID 172691752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).