8-cyclobutyl-8-azabicyclo[3.2.1]octane

C11H19N — CID 23151234

IUPAC8-cyclobutyl-8-azabicyclo[3.2.1]octane
SMILESC1CC(N2C3CCCC2CC3)C1
InChIInChI=1S/C11H19N/c1-3-9(4-1)12-10-5-2-6-11(12)8-7-10/h9-11H,1-8H2
InChIKeyMVRIDNIZVGDFEB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.56
Rot. Bonds1

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

8-cyclobutyl-8-azabicyclo[3.2.1]octane (PubChem CID 23151234) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 8-cyclobutyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-cyclobutyl-8-azabicyclo[3.2.1]octane
PubChem CID23151234
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name8-cyclobutyl-8-azabicyclo[3.2.1]octane
SMILESC1CC(N2C3CCCC2CC3)C1
InChIInChI=1S/C11H19N/c1-3-9(4-1)12-10-5-2-6-11(12)8-7-10/h9-11H,1-8H2
InChIKeyMVRIDNIZVGDFEB-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-cyclobutyl-8-azabicyclo[3.2.1]octane (CID 23151234) is 8-cyclobutyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-cyclobutyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-cyclobutyl-8-azabicyclo[3.2.1]octane is C1CC(N2C3CCCC2CC3)C1.
What is the InChIKey of 8-cyclobutyl-8-azabicyclo[3.2.1]octane?
The InChIKey is MVRIDNIZVGDFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-9(4-1)12-10-5-2-6-11(12)8-7-10/h9-11H,1-8H2.
What are the key properties of 8-cyclobutyl-8-azabicyclo[3.2.1]octane?
8-cyclobutyl-8-azabicyclo[3.2.1]octane has a molecular weight of 165.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 23151234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).