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

C8H19NO2 — CID 21298895

IUPAC1-[1-(tert-butylamino)ethoxy]ethanol
SMILESCC(O)OC(C)NC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-6(11-7(2)10)9-8(3,4)5/h6-7,9-10H,1-5H3
InChIKeyYYQIGKFXAYFQNE-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.08
Rot. Bonds3

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

1-[1-(tert-butylamino)ethoxy]ethanol (PubChem CID 21298895) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-[1-(tert-butylamino)ethoxy]ethanol.

Molecular Properties

Compound Name1-[1-(tert-butylamino)ethoxy]ethanol
PubChem CID21298895
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-[1-(tert-butylamino)ethoxy]ethanol
SMILESCC(O)OC(C)NC(C)(C)C
InChIInChI=1S/C8H19NO2/c1-6(11-7(2)10)9-8(3,4)5/h6-7,9-10H,1-5H3
InChIKeyYYQIGKFXAYFQNE-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[1-(tert-butylamino)ethoxy]ethanol?
The IUPAC name of 1-[1-(tert-butylamino)ethoxy]ethanol (CID 21298895) is 1-[1-(tert-butylamino)ethoxy]ethanol.
What is the SMILES notation for 1-[1-(tert-butylamino)ethoxy]ethanol?
The canonical SMILES for 1-[1-(tert-butylamino)ethoxy]ethanol is CC(O)OC(C)NC(C)(C)C.
What is the InChIKey of 1-[1-(tert-butylamino)ethoxy]ethanol?
The InChIKey is YYQIGKFXAYFQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-6(11-7(2)10)9-8(3,4)5/h6-7,9-10H,1-5H3.
What are the key properties of 1-[1-(tert-butylamino)ethoxy]ethanol?
1-[1-(tert-butylamino)ethoxy]ethanol has a molecular weight of 161.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(tert-butylamino)ethoxy]ethanol is sourced from PubChem (CID 21298895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).