2-[(2-ethylazetidin-1-yl)methyl]pyridine

C11H16N2 — CID 130678024

IUPAC2-[(2-ethylazetidin-1-yl)methyl]pyridine
SMILESCCC1CCN1Cc1ccccn1
InChIInChI=1S/C11H16N2/c1-2-11-6-8-13(11)9-10-5-3-4-7-12-10/h3-5,7,11H,2,6,8-9H2,1H3
InChIKeyCEWCJIVOSMFXLI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.07
Rot. Bonds3

About 2-[(2-ethylazetidin-1-yl)methyl]pyridine

2-[(2-ethylazetidin-1-yl)methyl]pyridine (PubChem CID 130678024) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(2-ethylazetidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(2-ethylazetidin-1-yl)methyl]pyridine
PubChem CID130678024
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-[(2-ethylazetidin-1-yl)methyl]pyridine
SMILESCCC1CCN1Cc1ccccn1
InChIInChI=1S/C11H16N2/c1-2-11-6-8-13(11)9-10-5-3-4-7-12-10/h3-5,7,11H,2,6,8-9H2,1H3
InChIKeyCEWCJIVOSMFXLI-UHFFFAOYSA-N
XLogP2.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanamine
CID 103440446
2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842793
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
2,5,5-triethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64861194
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
(3aR,6aS)-4-[(5-methylthiophen-2-yl)methyl]-1-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97459267
2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 117022412
2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580597
2-methyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579835
N-methyl-1-[1-(pyridin-2-ylmethyl)aziridin-2-yl]methanamine
CID 117010161

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylazetidin-1-yl)methyl]pyridine?
The IUPAC name of 2-[(2-ethylazetidin-1-yl)methyl]pyridine (CID 130678024) is 2-[(2-ethylazetidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(2-ethylazetidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(2-ethylazetidin-1-yl)methyl]pyridine is CCC1CCN1Cc1ccccn1.
What is the InChIKey of 2-[(2-ethylazetidin-1-yl)methyl]pyridine?
The InChIKey is CEWCJIVOSMFXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-11-6-8-13(11)9-10-5-3-4-7-12-10/h3-5,7,11H,2,6,8-9H2,1H3.
What are the key properties of 2-[(2-ethylazetidin-1-yl)methyl]pyridine?
2-[(2-ethylazetidin-1-yl)methyl]pyridine has a molecular weight of 176.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylazetidin-1-yl)methyl]pyridine is sourced from PubChem (CID 130678024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).