3-cyclohexyl-3-azabicyclo[3.1.0]hexane

C11H19N — CID 142330158

IUPAC3-cyclohexyl-3-azabicyclo[3.1.0]hexane
SMILESC1CCC(N2CC3CC3C2)CC1
InChIInChI=1S/C11H19N/c1-2-4-11(5-3-1)12-7-9-6-10(9)8-12/h9-11H,1-8H2
InChIKeyFPRZKOPGSIZYST-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.27
Rot. Bonds1

About 3-cyclohexyl-3-azabicyclo[3.1.0]hexane

3-cyclohexyl-3-azabicyclo[3.1.0]hexane (PubChem CID 142330158) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-cyclohexyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-cyclohexyl-3-azabicyclo[3.1.0]hexane
PubChem CID142330158
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-cyclohexyl-3-azabicyclo[3.1.0]hexane
SMILESC1CCC(N2CC3CC3C2)CC1
InChIInChI=1S/C11H19N/c1-2-4-11(5-3-1)12-7-9-6-10(9)8-12/h9-11H,1-8H2
InChIKeyFPRZKOPGSIZYST-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-cyclohexyl-3-azabicyclo[3.1.0]hexane (CID 142330158) is 3-cyclohexyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-cyclohexyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-cyclohexyl-3-azabicyclo[3.1.0]hexane is C1CCC(N2CC3CC3C2)CC1.
What is the InChIKey of 3-cyclohexyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is FPRZKOPGSIZYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-4-11(5-3-1)12-7-9-6-10(9)8-12/h9-11H,1-8H2.
What are the key properties of 3-cyclohexyl-3-azabicyclo[3.1.0]hexane?
3-cyclohexyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 165.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 142330158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).