2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane

C14H24N2 — CID 18473648

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CN2CCC1CC2C1CN2CCC1CC2
InChIInChI=1S/C14H24N2/c1-7-16-8-2-11(1)9-14(16)13-10-15-5-3-12(13)4-6-15/h11-14H,1-10H2
InChIKeyYLCZXSHYTHRCKK-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.81
Rot. Bonds1

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane

2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 18473648) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane
PubChem CID18473648
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane
SMILESC1CN2CCC1CC2C1CN2CCC1CC2
InChIInChI=1S/C14H24N2/c1-7-16-8-2-11(1)9-14(16)13-10-15-5-3-12(13)4-6-15/h11-14H,1-10H2
InChIKeyYLCZXSHYTHRCKK-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane (CID 18473648) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane is C1CN2CCC1CC2C1CN2CCC1CC2.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is YLCZXSHYTHRCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-7-16-8-2-11(1)9-14(16)13-10-15-5-3-12(13)4-6-15/h11-14H,1-10H2.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane?
2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 220.36 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 18473648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).