2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol

C11H23NO2 — CID 106824668

IUPAC2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol
SMILESCCOC1CC(CCO)(C(C)(C)N)C1
InChIInChI=1S/C11H23NO2/c1-4-14-9-7-11(8-9,5-6-13)10(2,3)12/h9,13H,4-8,12H2,1-3H3
InChIKeyZRGGLDBVZIBJHH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.29
Rot. Bonds5

About 2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol

2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol (PubChem CID 106824668) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol
PubChem CID106824668
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol
SMILESCCOC1CC(CCO)(C(C)(C)N)C1
InChIInChI=1S/C11H23NO2/c1-4-14-9-7-11(8-9,5-6-13)10(2,3)12/h9,13H,4-8,12H2,1-3H3
InChIKeyZRGGLDBVZIBJHH-UHFFFAOYSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol?
The IUPAC name of 2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol (CID 106824668) is 2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol.
What is the SMILES notation for 2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol?
The canonical SMILES for 2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol is CCOC1CC(CCO)(C(C)(C)N)C1.
What is the InChIKey of 2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol?
The InChIKey is ZRGGLDBVZIBJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-14-9-7-11(8-9,5-6-13)10(2,3)12/h9,13H,4-8,12H2,1-3H3.
What are the key properties of 2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol?
2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol has a molecular weight of 201.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminopropan-2-yl)-3-ethoxycyclobutyl]ethanol is sourced from PubChem (CID 106824668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).