6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane

C13H17N — CID 44561134

IUPAC6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane
SMILESCC1(C)C2CNCC21c1ccccc1
InChIInChI=1S/C13H17N/c1-12(2)11-8-14-9-13(11,12)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3
InChIKeyGCPODIFNAITRSC-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.18
Rot. Bonds1

About 6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane

6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane (PubChem CID 44561134) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane
PubChem CID44561134
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane
SMILESCC1(C)C2CNCC21c1ccccc1
InChIInChI=1S/C13H17N/c1-12(2)11-8-14-9-13(11,12)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3
InChIKeyGCPODIFNAITRSC-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane (CID 44561134) is 6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane is CC1(C)C2CNCC21c1ccccc1.
What is the InChIKey of 6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is GCPODIFNAITRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-12(2)11-8-14-9-13(11,12)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane?
6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 187.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-phenyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).