(5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane

C14H19N — CID 90777367

IUPAC(5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCCN1C[C@@H]2CC2(c2ccc(C)cc2)C1
InChIInChI=1S/C14H19N/c1-3-15-9-13-8-14(13,10-15)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3/t13-,14?/m0/s1
InChIKeyIJPSTDWTKHUTHO-LSLKUGRBSA-N
MW201.31 g/mol
LogP2.59
Rot. Bonds2

About (5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane

(5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 90777367) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
PubChem CID90777367
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
SMILESCCN1C[C@@H]2CC2(c2ccc(C)cc2)C1
InChIInChI=1S/C14H19N/c1-3-15-9-13-8-14(13,10-15)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3/t13-,14?/m0/s1
InChIKeyIJPSTDWTKHUTHO-LSLKUGRBSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane (CID 90777367) is (5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane is CCN1C[C@@H]2CC2(c2ccc(C)cc2)C1.
What is the InChIKey of (5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is IJPSTDWTKHUTHO-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H19N/c1-3-15-9-13-8-14(13,10-15)12-6-4-11(2)5-7-12/h4-7,13H,3,8-10H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of (5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane?
(5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 201.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 90777367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).