2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane

C13H23N3 — CID 18510463

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane
SMILESC1CN2CCC1C(C1CN3CCN1CC3)C2
InChIInChI=1S/C13H23N3/c1-3-14-4-2-11(1)12(9-14)13-10-15-5-7-16(13)8-6-15/h11-13H,1-10H2
InChIKeyYWUZCGQHQVWGGW-UHFFFAOYSA-N
MW221.35 g/mol
LogP0.33
Rot. Bonds1

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane

2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane (PubChem CID 18510463) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane
PubChem CID18510463
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane
SMILESC1CN2CCC1C(C1CN3CCN1CC3)C2
InChIInChI=1S/C13H23N3/c1-3-14-4-2-11(1)12(9-14)13-10-15-5-7-16(13)8-6-15/h11-13H,1-10H2
InChIKeyYWUZCGQHQVWGGW-UHFFFAOYSA-N
XLogP0.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane (CID 18510463) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane is C1CN2CCC1C(C1CN3CCN1CC3)C2.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane?
The InChIKey is YWUZCGQHQVWGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-14-4-2-11(1)12(9-14)13-10-15-5-7-16(13)8-6-15/h11-13H,1-10H2.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane?
2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane has a molecular weight of 221.35 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-1,4-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 18510463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).