2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane

C13H18N2 — CID 10130418

IUPAC2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane
SMILESc1cncc(CC2CC3CCN2CC3)c1
InChIInChI=1S/C13H18N2/c1-2-12(10-14-5-1)9-13-8-11-3-6-15(13)7-4-11/h1-2,5,10-11,13H,3-4,6-9H2
InChIKeyXOXNEDDHVCBSGK-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.11
Rot. Bonds2

About 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane

2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane (PubChem CID 10130418) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane
PubChem CID10130418
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane
SMILESc1cncc(CC2CC3CCN2CC3)c1
InChIInChI=1S/C13H18N2/c1-2-12(10-14-5-1)9-13-8-11-3-6-15(13)7-4-11/h1-2,5,10-11,13H,3-4,6-9H2
InChIKeyXOXNEDDHVCBSGK-UHFFFAOYSA-N
XLogP2.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Anabasine
CID 205586
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Azatadine
CID 19861
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
3-Butylpyridine
CID 10874
3-Pentylpyridine
CID 238307

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane (CID 10130418) is 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane is c1cncc(CC2CC3CCN2CC3)c1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane?
The InChIKey is XOXNEDDHVCBSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-12(10-14-5-1)9-13-8-11-3-6-15(13)7-4-11/h1-2,5,10-11,13H,3-4,6-9H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane?
2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane has a molecular weight of 202.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 10130418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).