3,6-diazabicyclo[3.2.2]nonane

C7H14N2 — CID 19081323

IUPAC3,6-diazabicyclo[3.2.2]nonane
SMILESC1CC2CNCC1CN2
InChIInChI=1S/C7H14N2/c1-2-7-5-8-3-6(1)4-9-7/h6-9H,1-5H2
InChIKeyIUFRXYVUJWLFFS-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.04
Rot. Bonds

About 3,6-diazabicyclo[3.2.2]nonane

3,6-diazabicyclo[3.2.2]nonane (PubChem CID 19081323) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name3,6-diazabicyclo[3.2.2]nonane
PubChem CID19081323
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3,6-diazabicyclo[3.2.2]nonane
SMILESC1CC2CNCC1CN2
InChIInChI=1S/C7H14N2/c1-2-7-5-8-3-6(1)4-9-7/h6-9H,1-5H2
InChIKeyIUFRXYVUJWLFFS-UHFFFAOYSA-N
XLogP-0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of 3,6-diazabicyclo[3.2.2]nonane (CID 19081323) is 3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 3,6-diazabicyclo[3.2.2]nonane is C1CC2CNCC1CN2.
What is the InChIKey of 3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is IUFRXYVUJWLFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-7-5-8-3-6(1)4-9-7/h6-9H,1-5H2.
What are the key properties of 3,6-diazabicyclo[3.2.2]nonane?
3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 126.20 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 19081323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).