5-benzyl-2-azabicyclo[2.2.2]octane

C14H19N — CID 18388615

IUPAC5-benzyl-2-azabicyclo[2.2.2]octane
SMILESc1ccc(CC2CC3CCC2CN3)cc1
InChIInChI=1S/C14H19N/c1-2-4-11(5-3-1)8-13-9-14-7-6-12(13)10-15-14/h1-5,12-15H,6-10H2
InChIKeyPWSLOLVPVGHADM-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.62
Rot. Bonds2

About 5-benzyl-2-azabicyclo[2.2.2]octane

5-benzyl-2-azabicyclo[2.2.2]octane (PubChem CID 18388615) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-benzyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name5-benzyl-2-azabicyclo[2.2.2]octane
PubChem CID18388615
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name5-benzyl-2-azabicyclo[2.2.2]octane
SMILESc1ccc(CC2CC3CCC2CN3)cc1
InChIInChI=1S/C14H19N/c1-2-4-11(5-3-1)8-13-9-14-7-6-12(13)10-15-14/h1-5,12-15H,6-10H2
InChIKeyPWSLOLVPVGHADM-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
(1S,2R,5R)-2-benzylbicyclo[3.1.0]hexane
CID 158080473
(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane
CID 99645713
CID 162338619
CID 162338619
(1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine
CID 167446481
(5S)-2-azabicyclo[2.2.2]octan-5-amine
CID 146429192
3-benzylpyrrolidine-2-carboxylic acid
CID 14754197
3-benzyl-2-ethylpyrrolidine
CID 4543797
[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
(2-benzylcyclopropyl)methanamine
CID 56605942
3-benzyl-4-cycloheptylpiperidine
CID 79320588

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 5-benzyl-2-azabicyclo[2.2.2]octane (CID 18388615) is 5-benzyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 5-benzyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 5-benzyl-2-azabicyclo[2.2.2]octane is c1ccc(CC2CC3CCC2CN3)cc1.
What is the InChIKey of 5-benzyl-2-azabicyclo[2.2.2]octane?
The InChIKey is PWSLOLVPVGHADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-4-11(5-3-1)8-13-9-14-7-6-12(13)10-15-14/h1-5,12-15H,6-10H2.
What are the key properties of 5-benzyl-2-azabicyclo[2.2.2]octane?
5-benzyl-2-azabicyclo[2.2.2]octane has a molecular weight of 201.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 18388615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).