2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol

C7H15NO3 — CID 61234302

IUPAC2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol
SMILESOCCN(CCO)CC1CO1
InChIInChI=1S/C7H15NO3/c9-3-1-8(2-4-10)5-7-6-11-7/h7,9-10H,1-6H2
InChIKeySSXBSMPTXSRQQX-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.33
Rot. Bonds6

About 2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol

2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol (PubChem CID 61234302) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol
PubChem CID61234302
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol
SMILESOCCN(CCO)CC1CO1
InChIInChI=1S/C7H15NO3/c9-3-1-8(2-4-10)5-7-6-11-7/h7,9-10H,1-6H2
InChIKeySSXBSMPTXSRQQX-UHFFFAOYSA-N
XLogP-1.33
TPSA56.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol (CID 61234302) is 2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol is OCCN(CCO)CC1CO1.
What is the InChIKey of 2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol?
The InChIKey is SSXBSMPTXSRQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c9-3-1-8(2-4-10)5-7-6-11-7/h7,9-10H,1-6H2.
What are the key properties of 2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol?
2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol has a molecular weight of 161.20 g/mol, XLogP of -1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(oxiran-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 61234302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).