ethane;1-phenyl-3-azabicyclo[3.1.0]hexane

C15H25N — CID 90822722

IUPACethane;1-phenyl-3-azabicyclo[3.1.0]hexane
SMILESCC.CC.c1ccc(C23CNCC2C3)cc1
InChIInChI=1S/C11H13N.2C2H6/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11;2*1-2/h1-5,10,12H,6-8H2;2*1-2H3
InChIKeyJTMOCHRVCNFNLZ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.60
Rot. Bonds1

About ethane;1-phenyl-3-azabicyclo[3.1.0]hexane

ethane;1-phenyl-3-azabicyclo[3.1.0]hexane (PubChem CID 90822722) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;1-phenyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;1-phenyl-3-azabicyclo[3.1.0]hexane
PubChem CID90822722
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Nameethane;1-phenyl-3-azabicyclo[3.1.0]hexane
SMILESCC.CC.c1ccc(C23CNCC2C3)cc1
InChIInChI=1S/C11H13N.2C2H6/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11;2*1-2/h1-5,10,12H,6-8H2;2*1-2H3
InChIKeyJTMOCHRVCNFNLZ-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;1-phenyl-3-azabicyclo[3.1.0]hexane (CID 90822722) is ethane;1-phenyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;1-phenyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;1-phenyl-3-azabicyclo[3.1.0]hexane is CC.CC.c1ccc(C23CNCC2C3)cc1.
What is the InChIKey of ethane;1-phenyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is JTMOCHRVCNFNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.2C2H6/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11;2*1-2/h1-5,10,12H,6-8H2;2*1-2H3.
What are the key properties of ethane;1-phenyl-3-azabicyclo[3.1.0]hexane?
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 219.37 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 90822722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).