2,6-diazabicyclo[3.2.1]octane

C6H12N2 — CID 67134509

IUPAC2,6-diazabicyclo[3.2.1]octane
SMILESC1CC2CC(CN2)N1
InChIInChI=1S/C6H12N2/c1-2-7-6-3-5(1)8-4-6/h5-8H,1-4H2
InChIKeyURXNGDKBCYJULA-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.29
Rot. Bonds

About 2,6-diazabicyclo[3.2.1]octane

2,6-diazabicyclo[3.2.1]octane (PubChem CID 67134509) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2,6-diazabicyclo[3.2.1]octane
PubChem CID67134509
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2,6-diazabicyclo[3.2.1]octane
SMILESC1CC2CC(CN2)N1
InChIInChI=1S/C6H12N2/c1-2-7-6-3-5(1)8-4-6/h5-8H,1-4H2
InChIKeyURXNGDKBCYJULA-UHFFFAOYSA-N
XLogP-0.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 2,6-diazabicyclo[3.2.1]octane (CID 67134509) is 2,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 2,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 2,6-diazabicyclo[3.2.1]octane is C1CC2CC(CN2)N1.
What is the InChIKey of 2,6-diazabicyclo[3.2.1]octane?
The InChIKey is URXNGDKBCYJULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-7-6-3-5(1)8-4-6/h5-8H,1-4H2.
What are the key properties of 2,6-diazabicyclo[3.2.1]octane?
2,6-diazabicyclo[3.2.1]octane has a molecular weight of 112.18 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 67134509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).