3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol

C11H23NO — CID 106186629

IUPAC3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC1(C)CN(C(C)(C)C(C)(C)O)C1
InChIInChI=1S/C11H23NO/c1-9(2)7-12(8-9)10(3,4)11(5,6)13/h13H,7-8H2,1-6H3
InChIKeyUGUSJSFPCIFERD-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds2

About 3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol

3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol (PubChem CID 106186629) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol
PubChem CID106186629
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC1(C)CN(C(C)(C)C(C)(C)O)C1
InChIInChI=1S/C11H23NO/c1-9(2)7-12(8-9)10(3,4)11(5,6)13/h13H,7-8H2,1-6H3
InChIKeyUGUSJSFPCIFERD-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol (CID 106186629) is 3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol is CC1(C)CN(C(C)(C)C(C)(C)O)C1.
What is the InChIKey of 3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol?
The InChIKey is UGUSJSFPCIFERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-12(8-9)10(3,4)11(5,6)13/h13H,7-8H2,1-6H3.
What are the key properties of 3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol?
3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylazetidin-1-yl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106186629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).