4,8-diazabicyclo[5.2.0]nonane

C7H14N2 — CID 122671923

IUPAC4,8-diazabicyclo[5.2.0]nonane
SMILESC1CC2CNC2CCN1
InChIInChI=1S/C7H14N2/c1-3-8-4-2-7-6(1)5-9-7/h6-9H,1-5H2
InChIKeyCYOZFPCJPHQYMS-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.04
Rot. Bonds

About 4,8-diazabicyclo[5.2.0]nonane

4,8-diazabicyclo[5.2.0]nonane (PubChem CID 122671923) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4,8-diazabicyclo[5.2.0]nonane.

Molecular Properties

Compound Name4,8-diazabicyclo[5.2.0]nonane
PubChem CID122671923
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4,8-diazabicyclo[5.2.0]nonane
SMILESC1CC2CNC2CCN1
InChIInChI=1S/C7H14N2/c1-3-8-4-2-7-6(1)5-9-7/h6-9H,1-5H2
InChIKeyCYOZFPCJPHQYMS-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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Related Compounds

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1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
2-oxa-5,9-diazabicyclo[6.2.0]decane
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Frequently Asked Questions

What is the IUPAC name of 4,8-diazabicyclo[5.2.0]nonane?
The IUPAC name of 4,8-diazabicyclo[5.2.0]nonane (CID 122671923) is 4,8-diazabicyclo[5.2.0]nonane.
What is the SMILES notation for 4,8-diazabicyclo[5.2.0]nonane?
The canonical SMILES for 4,8-diazabicyclo[5.2.0]nonane is C1CC2CNC2CCN1.
What is the InChIKey of 4,8-diazabicyclo[5.2.0]nonane?
The InChIKey is CYOZFPCJPHQYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-8-4-2-7-6(1)5-9-7/h6-9H,1-5H2.
What are the key properties of 4,8-diazabicyclo[5.2.0]nonane?
4,8-diazabicyclo[5.2.0]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 4,8-diazabicyclo[5.2.0]nonane is sourced from PubChem (CID 122671923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).