6-phenyl-2-azabicyclo[3.3.1]nonane

C14H19N — CID 57485502

IUPAC6-phenyl-2-azabicyclo[3.3.1]nonane
SMILESc1ccc(C2CCC3CC2CCN3)cc1
InChIInChI=1S/C14H19N/c1-2-4-11(5-3-1)14-7-6-13-10-12(14)8-9-15-13/h1-5,12-15H,6-10H2
InChIKeyJJZRJWRCQQGAGJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.93
Rot. Bonds1

About 6-phenyl-2-azabicyclo[3.3.1]nonane

6-phenyl-2-azabicyclo[3.3.1]nonane (PubChem CID 57485502) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 6-phenyl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name6-phenyl-2-azabicyclo[3.3.1]nonane
PubChem CID57485502
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name6-phenyl-2-azabicyclo[3.3.1]nonane
SMILESc1ccc(C2CCC3CC2CCN3)cc1
InChIInChI=1S/C14H19N/c1-2-4-11(5-3-1)14-7-6-13-10-12(14)8-9-15-13/h1-5,12-15H,6-10H2
InChIKeyJJZRJWRCQQGAGJ-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of 6-phenyl-2-azabicyclo[3.3.1]nonane (CID 57485502) is 6-phenyl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 6-phenyl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for 6-phenyl-2-azabicyclo[3.3.1]nonane is c1ccc(C2CCC3CC2CCN3)cc1.
What is the InChIKey of 6-phenyl-2-azabicyclo[3.3.1]nonane?
The InChIKey is JJZRJWRCQQGAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-4-11(5-3-1)14-7-6-13-10-12(14)8-9-15-13/h1-5,12-15H,6-10H2.
What are the key properties of 6-phenyl-2-azabicyclo[3.3.1]nonane?
6-phenyl-2-azabicyclo[3.3.1]nonane has a molecular weight of 201.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 57485502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).