3,6-diazabicyclo[3.2.1]octane

C6H12N2 — CID 22121937

IUPAC3,6-diazabicyclo[3.2.1]octane
SMILESC1NCC2CC1CN2
InChIInChI=1S/C6H12N2/c1-5-2-7-4-6(1)8-3-5/h5-8H,1-4H2
InChIKeyISGOOAZVDIZEMN-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.43
Rot. Bonds

About 3,6-diazabicyclo[3.2.1]octane

3,6-diazabicyclo[3.2.1]octane (PubChem CID 22121937) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,6-diazabicyclo[3.2.1]octane
PubChem CID22121937
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3,6-diazabicyclo[3.2.1]octane
SMILESC1NCC2CC1CN2
InChIInChI=1S/C6H12N2/c1-5-2-7-4-6(1)8-3-5/h5-8H,1-4H2
InChIKeyISGOOAZVDIZEMN-UHFFFAOYSA-N
XLogP-0.43
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 ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-3,6-diazabicyclo(3.2.1)octane dihydrochloride
CID 13999282
3-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999283
3,8-Diazabicyclo(3.2.1)octane
CID 12430587
1-Azabicyclo[3.2.1]octan-6-amine dihydrochloride
CID 165993150
2,6-Diazabicyclo[3.2.1]octane
CID 67134509
6-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999281
1-Azabicyclo[3.2.1]octan-6-amine
CID 55288950
6-Methyl-2,6-diazabicyclo[3.2.1]octane
CID 146675323
1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane
CID 170102015
1-Fluoro-3,6-diazabicyclo[3.2.1]octane
CID 170102060
1-Fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane
CID 170102069
8-Fluoro-3,6-diazabicyclo[3.2.1]octane
CID 105427520

Frequently Asked Questions

What is the IUPAC name of 3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 3,6-diazabicyclo[3.2.1]octane (CID 22121937) is 3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3,6-diazabicyclo[3.2.1]octane is C1NCC2CC1CN2.
What is the InChIKey of 3,6-diazabicyclo[3.2.1]octane?
The InChIKey is ISGOOAZVDIZEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-2-7-4-6(1)8-3-5/h5-8H,1-4H2.
What are the key properties of 3,6-diazabicyclo[3.2.1]octane?
3,6-diazabicyclo[3.2.1]octane has a molecular weight of 112.18 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 22121937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).