5-cyclobutyl-5-azabicyclo[2.1.1]hexane

C9H15N — CID 23151373

IUPAC5-cyclobutyl-5-azabicyclo[2.1.1]hexane
SMILESC1CC(N2C3CCC2C3)C1
InChIInChI=1S/C9H15N/c1-2-7(3-1)10-8-4-5-9(10)6-8/h7-9H,1-6H2
InChIKeySUURZBWGXRYIRJ-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.78
Rot. Bonds1

About 5-cyclobutyl-5-azabicyclo[2.1.1]hexane

5-cyclobutyl-5-azabicyclo[2.1.1]hexane (PubChem CID 23151373) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-cyclobutyl-5-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5-cyclobutyl-5-azabicyclo[2.1.1]hexane
PubChem CID23151373
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-cyclobutyl-5-azabicyclo[2.1.1]hexane
SMILESC1CC(N2C3CCC2C3)C1
InChIInChI=1S/C9H15N/c1-2-7(3-1)10-8-4-5-9(10)6-8/h7-9H,1-6H2
InChIKeySUURZBWGXRYIRJ-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-5-azabicyclo[2.1.1]hexane?
The IUPAC name of 5-cyclobutyl-5-azabicyclo[2.1.1]hexane (CID 23151373) is 5-cyclobutyl-5-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 5-cyclobutyl-5-azabicyclo[2.1.1]hexane?
The canonical SMILES for 5-cyclobutyl-5-azabicyclo[2.1.1]hexane is C1CC(N2C3CCC2C3)C1.
What is the InChIKey of 5-cyclobutyl-5-azabicyclo[2.1.1]hexane?
The InChIKey is SUURZBWGXRYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-7(3-1)10-8-4-5-9(10)6-8/h7-9H,1-6H2.
What are the key properties of 5-cyclobutyl-5-azabicyclo[2.1.1]hexane?
5-cyclobutyl-5-azabicyclo[2.1.1]hexane has a molecular weight of 137.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-5-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 23151373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).