2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol

C10H24N2O3 — CID 166951317

IUPAC2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol
SMILESCCCCNCCOOCCNCCO
InChIInChI=1S/C10H24N2O3/c1-2-3-4-11-6-9-14-15-10-7-12-5-8-13/h11-13H,2-10H2,1H3
InChIKeyZZTUXVBCYVEWIG-UHFFFAOYSA-N
MW220.31 g/mol
LogP-0.09
Rot. Bonds12

About 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol

2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol (PubChem CID 166951317) has the molecular formula C10H24N2O3 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol
PubChem CID166951317
Molecular FormulaC10H24N2O3
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol
SMILESCCCCNCCOOCCNCCO
InChIInChI=1S/C10H24N2O3/c1-2-3-4-11-6-9-14-15-10-7-12-5-8-13/h11-13H,2-10H2,1H3
InChIKeyZZTUXVBCYVEWIG-UHFFFAOYSA-N
XLogP-0.09
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
N-butylbutan-1-amine;propan-1-ol
CID 174657089
sodium;N-butylbutan-1-amine;hydride;2-(2-hydroxyethylamino)ethanol;manganese;hydrate;hydrochloride
CID 173350760
acetic acid;bis(2-(butylamino)ethanol)
CID 172848833
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(hexadecylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101188232
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
2-[2-(heptylamino)ethoxy]ethanol
CID 4712323
2-[2-(dodecylamino)ethoxy]ethanol
CID 4546884
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
N-butylbutan-1-amine;hydrochloride
CID 3083954
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
ethanesulfonic acid;2-(octadecylamino)ethanol
CID 20512907

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol?
The IUPAC name of 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol (CID 166951317) is 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol?
The canonical SMILES for 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol is CCCCNCCOOCCNCCO.
What is the InChIKey of 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol?
The InChIKey is ZZTUXVBCYVEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3/c1-2-3-4-11-6-9-14-15-10-7-12-5-8-13/h11-13H,2-10H2,1H3.
What are the key properties of 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol?
2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol has a molecular weight of 220.31 g/mol, XLogP of -0.09, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(butylamino)ethylperoxy]ethylamino]ethanol is sourced from PubChem (CID 166951317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).