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

C12H18N2 — CID 131871338

IUPAC2-(azetidin-3-yl)-5-butylpyridine
SMILESCCCCc1ccc(C2CNC2)nc1
InChIInChI=1S/C12H18N2/c1-2-3-4-10-5-6-12(14-7-10)11-8-13-9-11/h5-7,11,13H,2-4,8-9H2,1H3
InChIKeyVKXHJKZTSUWCLJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.11
Rot. Bonds4

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

2-(azetidin-3-yl)-5-butylpyridine (PubChem CID 131871338) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-butylpyridine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-butylpyridine
PubChem CID131871338
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(azetidin-3-yl)-5-butylpyridine
SMILESCCCCc1ccc(C2CNC2)nc1
InChIInChI=1S/C12H18N2/c1-2-3-4-10-5-6-12(14-7-10)11-8-13-9-11/h5-7,11,13H,2-4,8-9H2,1H3
InChIKeyVKXHJKZTSUWCLJ-UHFFFAOYSA-N
XLogP2.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-heptyl-2-[4-(4-heptylcyclohexyl)cyclohexyl]pyridine;5-heptyl-2-[4-(4-hexylcyclohexyl)cyclohexyl]pyridine
CID 70426657
5-butyl-N-methylpyridin-2-amine
CID 139696772
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
3-[4-(4-pentylphenyl)phenyl]azetidine
CID 154791464
2-(azetidin-3-yl)-5-ethylpyrimidine
CID 84651719
5-(4-hexylphenyl)-2-(4-octylcyclohexyl)pyridine
CID 19858862
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-bromo-5-pentylpyridine
CID 170248675
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
5-butyl-2-cyclohexylpyrimidine
CID 154503798
5-decyl-2-[6-(4-propylcyclohexyl)-3-pyridinyl]pyrimidine
CID 139626585
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-butylpyridine?
The IUPAC name of 2-(azetidin-3-yl)-5-butylpyridine (CID 131871338) is 2-(azetidin-3-yl)-5-butylpyridine.
What is the SMILES notation for 2-(azetidin-3-yl)-5-butylpyridine?
The canonical SMILES for 2-(azetidin-3-yl)-5-butylpyridine is CCCCc1ccc(C2CNC2)nc1.
What is the InChIKey of 2-(azetidin-3-yl)-5-butylpyridine?
The InChIKey is VKXHJKZTSUWCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-3-4-10-5-6-12(14-7-10)11-8-13-9-11/h5-7,11,13H,2-4,8-9H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-5-butylpyridine?
2-(azetidin-3-yl)-5-butylpyridine has a molecular weight of 190.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-butylpyridine is sourced from PubChem (CID 131871338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).