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

C14H24N2 — CID 134350504

IUPAC1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane
SMILESC1CC2(C3CC4CCN3CC4)CCC1CN2
InChIInChI=1S/C14H24N2/c1-5-14(6-2-12(1)10-15-14)13-9-11-3-7-16(13)8-4-11/h11-13,15H,1-10H2
InChIKeyUSINBIKVGZXJHA-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.00
Rot. Bonds1

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

1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane (PubChem CID 134350504) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane
PubChem CID134350504
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane
SMILESC1CC2(C3CC4CCN3CC4)CCC1CN2
InChIInChI=1S/C14H24N2/c1-5-14(6-2-12(1)10-15-14)13-9-11-3-7-16(13)8-4-11/h11-13,15H,1-10H2
InChIKeyUSINBIKVGZXJHA-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane (CID 134350504) is 1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane is C1CC2(C3CC4CCN3CC4)CCC1CN2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane?
The InChIKey is USINBIKVGZXJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-14(6-2-12(1)10-15-14)13-9-11-3-7-16(13)8-4-11/h11-13,15H,1-10H2.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane?
1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane has a molecular weight of 220.36 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-2-yl)-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 134350504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).