3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol

C7H17NO5 — CID 118859414

IUPAC3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol
SMILESNCCOCC(CO)OOCCO
InChIInChI=1S/C7H17NO5/c8-1-3-11-6-7(5-10)13-12-4-2-9/h7,9-10H,1-6,8H2
InChIKeyNPXJSXAGKIEURO-UHFFFAOYSA-N
MW195.21 g/mol
LogP-1.74
Rot. Bonds9

About 3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol

3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol (PubChem CID 118859414) has the molecular formula C7H17NO5 and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol.

Molecular Properties

Compound Name3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol
PubChem CID118859414
Molecular FormulaC7H17NO5
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol
SMILESNCCOCC(CO)OOCCO
InChIInChI=1S/C7H17NO5/c8-1-3-11-6-7(5-10)13-12-4-2-9/h7,9-10H,1-6,8H2
InChIKeyNPXJSXAGKIEURO-UHFFFAOYSA-N
XLogP-1.74
TPSA94.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol?
The IUPAC name of 3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol (CID 118859414) is 3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol.
What is the SMILES notation for 3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol?
The canonical SMILES for 3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol is NCCOCC(CO)OOCCO.
What is the InChIKey of 3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol?
The InChIKey is NPXJSXAGKIEURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO5/c8-1-3-11-6-7(5-10)13-12-4-2-9/h7,9-10H,1-6,8H2.
What are the key properties of 3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol?
3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol has a molecular weight of 195.21 g/mol, XLogP of -1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-2-(2-hydroxyethylperoxy)propan-1-ol is sourced from PubChem (CID 118859414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).