3-tert-butyl-1-methylazetidin-3-ol

C8H17NO — CID 126763943

IUPAC3-tert-butyl-1-methylazetidin-3-ol
SMILESCN1CC(O)(C(C)(C)C)C1
InChIInChI=1S/C8H17NO/c1-7(2,3)8(10)5-9(4)6-8/h10H,5-6H2,1-4H3
InChIKeyPDMRTKLMHBWXES-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds

About 3-tert-butyl-1-methylazetidin-3-ol

3-tert-butyl-1-methylazetidin-3-ol (PubChem CID 126763943) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-tert-butyl-1-methylazetidin-3-ol.

Molecular Properties

Compound Name3-tert-butyl-1-methylazetidin-3-ol
PubChem CID126763943
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-tert-butyl-1-methylazetidin-3-ol
SMILESCN1CC(O)(C(C)(C)C)C1
InChIInChI=1S/C8H17NO/c1-7(2,3)8(10)5-9(4)6-8/h10H,5-6H2,1-4H3
InChIKeyPDMRTKLMHBWXES-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylazetidin-3-ol?
The IUPAC name of 3-tert-butyl-1-methylazetidin-3-ol (CID 126763943) is 3-tert-butyl-1-methylazetidin-3-ol.
What is the SMILES notation for 3-tert-butyl-1-methylazetidin-3-ol?
The canonical SMILES for 3-tert-butyl-1-methylazetidin-3-ol is CN1CC(O)(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-methylazetidin-3-ol?
The InChIKey is PDMRTKLMHBWXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2,3)8(10)5-9(4)6-8/h10H,5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-1-methylazetidin-3-ol?
3-tert-butyl-1-methylazetidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylazetidin-3-ol is sourced from PubChem (CID 126763943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).