5-(azetidin-3-yl)-2-tert-butylpyridine

C12H18N2 — CID 162745774

IUPAC5-(azetidin-3-yl)-2-tert-butylpyridine
SMILESCC(C)(C)c1ccc(C2CNC2)cn1
InChIInChI=1S/C12H18N2/c1-12(2,3)11-5-4-9(8-14-11)10-6-13-7-10/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyQTASWVDNXIGBOT-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.07
Rot. Bonds1

About 5-(azetidin-3-yl)-2-tert-butylpyridine

5-(azetidin-3-yl)-2-tert-butylpyridine (PubChem CID 162745774) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-2-tert-butylpyridine.

Molecular Properties

Compound Name5-(azetidin-3-yl)-2-tert-butylpyridine
PubChem CID162745774
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-(azetidin-3-yl)-2-tert-butylpyridine
SMILESCC(C)(C)c1ccc(C2CNC2)cn1
InChIInChI=1S/C12H18N2/c1-12(2,3)11-5-4-9(8-14-11)10-6-13-7-10/h4-5,8,10,13H,6-7H2,1-3H3
InChIKeyQTASWVDNXIGBOT-UHFFFAOYSA-N
XLogP2.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(azetidin-3-yl)-2-tert-butylpyridine 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 5-(azetidin-3-yl)-2-tert-butylpyridine?
The IUPAC name of 5-(azetidin-3-yl)-2-tert-butylpyridine (CID 162745774) is 5-(azetidin-3-yl)-2-tert-butylpyridine.
What is the SMILES notation for 5-(azetidin-3-yl)-2-tert-butylpyridine?
The canonical SMILES for 5-(azetidin-3-yl)-2-tert-butylpyridine is CC(C)(C)c1ccc(C2CNC2)cn1.
What is the InChIKey of 5-(azetidin-3-yl)-2-tert-butylpyridine?
The InChIKey is QTASWVDNXIGBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-12(2,3)11-5-4-9(8-14-11)10-6-13-7-10/h4-5,8,10,13H,6-7H2,1-3H3.
What are the key properties of 5-(azetidin-3-yl)-2-tert-butylpyridine?
5-(azetidin-3-yl)-2-tert-butylpyridine has a molecular weight of 190.29 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-2-tert-butylpyridine is sourced from PubChem (CID 162745774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).