6-azabicyclo[3.2.1]octane

C7H13N — CID 549419

IUPAC6-azabicyclo[3.2.1]octane
SMILESC1CC2CNC(C1)C2
InChIInChI=1S/C7H13N/c1-2-6-4-7(3-1)8-5-6/h6-8H,1-5H2
InChIKeyVJPPDEZWWKCSIV-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.15
Rot. Bonds

About 6-azabicyclo[3.2.1]octane

6-azabicyclo[3.2.1]octane (PubChem CID 549419) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-azabicyclo[3.2.1]octane
PubChem CID549419
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name6-azabicyclo[3.2.1]octane
SMILESC1CC2CNC(C1)C2
InChIInChI=1S/C7H13N/c1-2-6-4-7(3-1)8-5-6/h6-8H,1-5H2
InChIKeyVJPPDEZWWKCSIV-UHFFFAOYSA-N
XLogP1.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-azabicyclo[3.2.1]octane?
The IUPAC name of 6-azabicyclo[3.2.1]octane (CID 549419) is 6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-azabicyclo[3.2.1]octane is C1CC2CNC(C1)C2.
What is the InChIKey of 6-azabicyclo[3.2.1]octane?
The InChIKey is VJPPDEZWWKCSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-6-4-7(3-1)8-5-6/h6-8H,1-5H2.
What are the key properties of 6-azabicyclo[3.2.1]octane?
6-azabicyclo[3.2.1]octane has a molecular weight of 111.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 549419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).