1-[2-(tert-butylamino)ethoxy]ethanol

C8H19NO2 — CID 86739037

IUPAC1-[2-(tert-butylamino)ethoxy]ethanol
SMILESCC(O)OCCNC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-7(10)11-6-5-9-8(2,3)4/h7,9-10H,5-6H2,1-4H3
InChIKeyAHXXIYFEJGGBMG-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.73
Rot. Bonds4

About 1-[2-(tert-butylamino)ethoxy]ethanol

1-[2-(tert-butylamino)ethoxy]ethanol (PubChem CID 86739037) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethoxy]ethanol.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethoxy]ethanol
PubChem CID86739037
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-[2-(tert-butylamino)ethoxy]ethanol
SMILESCC(O)OCCNC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-7(10)11-6-5-9-8(2,3)4/h7,9-10H,5-6H2,1-4H3
InChIKeyAHXXIYFEJGGBMG-UHFFFAOYSA-N
XLogP0.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethoxy]ethanol?
The IUPAC name of 1-[2-(tert-butylamino)ethoxy]ethanol (CID 86739037) is 1-[2-(tert-butylamino)ethoxy]ethanol.
What is the SMILES notation for 1-[2-(tert-butylamino)ethoxy]ethanol?
The canonical SMILES for 1-[2-(tert-butylamino)ethoxy]ethanol is CC(O)OCCNC(C)(C)C.
What is the InChIKey of 1-[2-(tert-butylamino)ethoxy]ethanol?
The InChIKey is AHXXIYFEJGGBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(10)11-6-5-9-8(2,3)4/h7,9-10H,5-6H2,1-4H3.
What are the key properties of 1-[2-(tert-butylamino)ethoxy]ethanol?
1-[2-(tert-butylamino)ethoxy]ethanol has a molecular weight of 161.24 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethoxy]ethanol is sourced from PubChem (CID 86739037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).