1-tert-butyl-2-methylazetidin-3-ol;hydrochloride

C8H18ClNO — CID 54600031

IUPAC1-tert-butyl-2-methylazetidin-3-ol;hydrochloride
SMILESCC1C(O)CN1C(C)(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-6-7(10)5-9(6)8(2,3)4;/h6-7,10H,5H2,1-4H3;1H
InChIKeyGTTFLVGCBNKLAZ-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.27
Rot. Bonds

About 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride

1-tert-butyl-2-methylazetidin-3-ol;hydrochloride (PubChem CID 54600031) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-2-methylazetidin-3-ol;hydrochloride
PubChem CID54600031
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name1-tert-butyl-2-methylazetidin-3-ol;hydrochloride
SMILESCC1C(O)CN1C(C)(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-6-7(10)5-9(6)8(2,3)4;/h6-7,10H,5H2,1-4H3;1H
InChIKeyGTTFLVGCBNKLAZ-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride?
The IUPAC name of 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride (CID 54600031) is 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride.
What is the SMILES notation for 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride?
The canonical SMILES for 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride is CC1C(O)CN1C(C)(C)C.Cl.
What is the InChIKey of 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride?
The InChIKey is GTTFLVGCBNKLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-6-7(10)5-9(6)8(2,3)4;/h6-7,10H,5H2,1-4H3;1H.
What are the key properties of 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride?
1-tert-butyl-2-methylazetidin-3-ol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylazetidin-3-ol;hydrochloride is sourced from PubChem (CID 54600031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).