2-(2-octadecoxyethylperoxy)ethanamine

C22H47NO3 — CID 161248525

IUPAC2-(2-octadecoxyethylperoxy)ethanamine
SMILESCCCCCCCCCCCCCCCCCCOCCOOCCN
InChIInChI=1S/C22H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-26-25-20-18-23/h2-23H2,1H3
InChIKeyQITHKPQCMNNVBB-UHFFFAOYSA-N
MW373.62 g/mol
LogP6.17
Rot. Bonds23

About 2-(2-octadecoxyethylperoxy)ethanamine

2-(2-octadecoxyethylperoxy)ethanamine (PubChem CID 161248525) has the molecular formula C22H47NO3 and a molecular weight of 373.62 g/mol. Its IUPAC name is 2-(2-octadecoxyethylperoxy)ethanamine.

Molecular Properties

Compound Name2-(2-octadecoxyethylperoxy)ethanamine
PubChem CID161248525
Molecular FormulaC22H47NO3
Molecular Weight373.62 g/mol
Exact Mass373.36
IUPAC Name2-(2-octadecoxyethylperoxy)ethanamine
SMILESCCCCCCCCCCCCCCCCCCOCCOOCCN
InChIInChI=1S/C22H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-26-25-20-18-23/h2-23H2,1H3
InChIKeyQITHKPQCMNNVBB-UHFFFAOYSA-N
XLogP6.17
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.62
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
4-nonoxybutan-1-amine
CID 139664551
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097

Frequently Asked Questions

What is the IUPAC name of 2-(2-octadecoxyethylperoxy)ethanamine?
The IUPAC name of 2-(2-octadecoxyethylperoxy)ethanamine (CID 161248525) is 2-(2-octadecoxyethylperoxy)ethanamine.
What is the SMILES notation for 2-(2-octadecoxyethylperoxy)ethanamine?
The canonical SMILES for 2-(2-octadecoxyethylperoxy)ethanamine is CCCCCCCCCCCCCCCCCCOCCOOCCN.
What is the InChIKey of 2-(2-octadecoxyethylperoxy)ethanamine?
The InChIKey is QITHKPQCMNNVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-26-25-20-18-23/h2-23H2,1H3.
What are the key properties of 2-(2-octadecoxyethylperoxy)ethanamine?
2-(2-octadecoxyethylperoxy)ethanamine has a molecular weight of 373.62 g/mol, XLogP of 6.17, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octadecoxyethylperoxy)ethanamine is sourced from PubChem (CID 161248525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).