2-(3,3-dimethylazetidin-1-yl)ethanol

C7H15NO — CID 77230182

IUPAC2-(3,3-dimethylazetidin-1-yl)ethanol
SMILESCC1(C)CN(CCO)C1
InChIInChI=1S/C7H15NO/c1-7(2)5-8(6-7)3-4-9/h9H,3-6H2,1-2H3
InChIKeyOUJFGLDUGXRPLA-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.32
Rot. Bonds2

About 2-(3,3-dimethylazetidin-1-yl)ethanol

2-(3,3-dimethylazetidin-1-yl)ethanol (PubChem CID 77230182) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(3,3-dimethylazetidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethylazetidin-1-yl)ethanol
PubChem CID77230182
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(3,3-dimethylazetidin-1-yl)ethanol
SMILESCC1(C)CN(CCO)C1
InChIInChI=1S/C7H15NO/c1-7(2)5-8(6-7)3-4-9/h9H,3-6H2,1-2H3
InChIKeyOUJFGLDUGXRPLA-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylazetidin-1-yl)ethanol?
The IUPAC name of 2-(3,3-dimethylazetidin-1-yl)ethanol (CID 77230182) is 2-(3,3-dimethylazetidin-1-yl)ethanol.
What is the SMILES notation for 2-(3,3-dimethylazetidin-1-yl)ethanol?
The canonical SMILES for 2-(3,3-dimethylazetidin-1-yl)ethanol is CC1(C)CN(CCO)C1.
What is the InChIKey of 2-(3,3-dimethylazetidin-1-yl)ethanol?
The InChIKey is OUJFGLDUGXRPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)5-8(6-7)3-4-9/h9H,3-6H2,1-2H3.
What are the key properties of 2-(3,3-dimethylazetidin-1-yl)ethanol?
2-(3,3-dimethylazetidin-1-yl)ethanol has a molecular weight of 129.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylazetidin-1-yl)ethanol is sourced from PubChem (CID 77230182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).