2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol

C12H25NO — CID 104550501

IUPAC2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)N1CC(C(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-9(2)11(8-14)13-6-10(7-13)12(3,4)5/h9-11,14H,6-8H2,1-5H3
InChIKeyLJXMCSPKLCZRMF-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.98
Rot. Bonds3

About 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol

2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol (PubChem CID 104550501) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol
PubChem CID104550501
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CO)N1CC(C(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-9(2)11(8-14)13-6-10(7-13)12(3,4)5/h9-11,14H,6-8H2,1-5H3
InChIKeyLJXMCSPKLCZRMF-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol 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 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol (CID 104550501) is 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol is CC(C)C(CO)N1CC(C(C)(C)C)C1.
What is the InChIKey of 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol?
The InChIKey is LJXMCSPKLCZRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(8-14)13-6-10(7-13)12(3,4)5/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol?
2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 104550501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).