6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane

C13H23N3 — CID 90834088

IUPAC6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESC1CC2CC(CN3CC4CC3CN4)C(C1)N2
InChIInChI=1S/C13H23N3/c1-2-10-4-9(13(3-1)15-10)7-16-8-11-5-12(16)6-14-11/h9-15H,1-8H2
InChIKeyZJOKEKAIUPGNHL-UHFFFAOYSA-N
MW221.35 g/mol
LogP0.56
Rot. Bonds2

About 6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane

6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 90834088) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
PubChem CID90834088
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESC1CC2CC(CN3CC4CC3CN4)C(C1)N2
InChIInChI=1S/C13H23N3/c1-2-10-4-9(13(3-1)15-10)7-16-8-11-5-12(16)6-14-11/h9-15H,1-8H2
InChIKeyZJOKEKAIUPGNHL-UHFFFAOYSA-N
XLogP0.56
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane (CID 90834088) is 6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane is C1CC2CC(CN3CC4CC3CN4)C(C1)N2.
What is the InChIKey of 6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is ZJOKEKAIUPGNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-10-4-9(13(3-1)15-10)7-16-8-11-5-12(16)6-14-11/h9-15H,1-8H2.
What are the key properties of 6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 221.35 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 90834088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).