6-azatricyclo[3.2.1.03,8]octane

C7H11N — CID 129230389

IUPAC6-azatricyclo[3.2.1.03,8]octane
SMILESC1NC2CC3CC1C32
InChIInChI=1S/C7H11N/c1-4-2-6-7(4)5(1)3-8-6/h4-8H,1-3H2
InChIKeyRYAKHUXUWJBLLM-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.61
Rot. Bonds

About 6-azatricyclo[3.2.1.03,8]octane

6-azatricyclo[3.2.1.03,8]octane (PubChem CID 129230389) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 6-azatricyclo[3.2.1.03,8]octane.

Molecular Properties

Compound Name6-azatricyclo[3.2.1.03,8]octane
PubChem CID129230389
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name6-azatricyclo[3.2.1.03,8]octane
SMILESC1NC2CC3CC1C32
InChIInChI=1S/C7H11N/c1-4-2-6-7(4)5(1)3-8-6/h4-8H,1-3H2
InChIKeyRYAKHUXUWJBLLM-UHFFFAOYSA-N
XLogP0.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-azatricyclo[3.2.1.03,8]octane?
The IUPAC name of 6-azatricyclo[3.2.1.03,8]octane (CID 129230389) is 6-azatricyclo[3.2.1.03,8]octane.
What is the SMILES notation for 6-azatricyclo[3.2.1.03,8]octane?
The canonical SMILES for 6-azatricyclo[3.2.1.03,8]octane is C1NC2CC3CC1C32.
What is the InChIKey of 6-azatricyclo[3.2.1.03,8]octane?
The InChIKey is RYAKHUXUWJBLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-4-2-6-7(4)5(1)3-8-6/h4-8H,1-3H2.
What are the key properties of 6-azatricyclo[3.2.1.03,8]octane?
6-azatricyclo[3.2.1.03,8]octane has a molecular weight of 109.17 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatricyclo[3.2.1.03,8]octane is sourced from PubChem (CID 129230389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).