2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane

C14H24N2 — CID 134341235

IUPAC2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CN2CCC1CC2C1CC2CCC1CN2
InChIInChI=1S/C14H24N2/c1-2-12-8-13(11(1)9-15-12)14-7-10-3-5-16(14)6-4-10/h10-15H,1-9H2
InChIKeyUDTWYTXTRPDTAR-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.86
Rot. Bonds1

About 2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane

2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 134341235) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane
PubChem CID134341235
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CN2CCC1CC2C1CC2CCC1CN2
InChIInChI=1S/C14H24N2/c1-2-12-8-13(11(1)9-15-12)14-7-10-3-5-16(14)6-4-10/h10-15H,1-9H2
InChIKeyUDTWYTXTRPDTAR-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane (CID 134341235) is 2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane is C1CN2CCC1CC2C1CC2CCC1CN2.
What is the InChIKey of 2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is UDTWYTXTRPDTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-12-8-13(11(1)9-15-12)14-7-10-3-5-16(14)6-4-10/h10-15H,1-9H2.
What are the key properties of 2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane?
2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 220.36 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.2]octan-5-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 134341235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).