3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol

C12H25NO2 — CID 106159245

IUPAC3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol
SMILESCCC1(CC)CN(C(CCO)COC)C1
InChIInChI=1S/C12H25NO2/c1-4-12(5-2)9-13(10-12)11(6-7-14)8-15-3/h11,14H,4-10H2,1-3H3
InChIKeyJVIZTFCSGFQNKO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds7

About 3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol

3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol (PubChem CID 106159245) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol
PubChem CID106159245
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol
SMILESCCC1(CC)CN(C(CCO)COC)C1
InChIInChI=1S/C12H25NO2/c1-4-12(5-2)9-13(10-12)11(6-7-14)8-15-3/h11,14H,4-10H2,1-3H3
InChIKeyJVIZTFCSGFQNKO-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol?
The IUPAC name of 3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol (CID 106159245) is 3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol.
What is the SMILES notation for 3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol?
The canonical SMILES for 3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol is CCC1(CC)CN(C(CCO)COC)C1.
What is the InChIKey of 3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol?
The InChIKey is JVIZTFCSGFQNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-12(5-2)9-13(10-12)11(6-7-14)8-15-3/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol?
3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol is sourced from PubChem (CID 106159245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).