8-ethyl-8-azabicyclo[3.2.1]octane

C9H17N — CID 18765865

IUPAC8-ethyl-8-azabicyclo[3.2.1]octane
SMILESCCN1C2CCCC1CC2
InChIInChI=1S/C9H17N/c1-2-10-8-4-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3
InChIKeyOLYYAMFPQZNKOC-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.02
Rot. Bonds1

About 8-ethyl-8-azabicyclo[3.2.1]octane

8-ethyl-8-azabicyclo[3.2.1]octane (PubChem CID 18765865) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 8-ethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-ethyl-8-azabicyclo[3.2.1]octane
PubChem CID18765865
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name8-ethyl-8-azabicyclo[3.2.1]octane
SMILESCCN1C2CCCC1CC2
InChIInChI=1S/C9H17N/c1-2-10-8-4-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3
InChIKeyOLYYAMFPQZNKOC-UHFFFAOYSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-ethyl-8-azabicyclo[3.2.1]octane (CID 18765865) is 8-ethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-ethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-ethyl-8-azabicyclo[3.2.1]octane is CCN1C2CCCC1CC2.
What is the InChIKey of 8-ethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is OLYYAMFPQZNKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-10-8-4-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3.
What are the key properties of 8-ethyl-8-azabicyclo[3.2.1]octane?
8-ethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 139.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 18765865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).