6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane

C12H22N2 — CID 79670501

IUPAC6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane
SMILESCCC1(CC)CN(C2C3CNCC32)C1
InChIInChI=1S/C12H22N2/c1-3-12(4-2)7-14(8-12)11-9-5-13-6-10(9)11/h9-11,13H,3-8H2,1-2H3
InChIKeyXEOZPCQNRIKOHT-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds3

About 6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane

6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 79670501) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID79670501
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane
SMILESCCC1(CC)CN(C2C3CNCC32)C1
InChIInChI=1S/C12H22N2/c1-3-12(4-2)7-14(8-12)11-9-5-13-6-10(9)11/h9-11,13H,3-8H2,1-2H3
InChIKeyXEOZPCQNRIKOHT-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane (CID 79670501) is 6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane is CCC1(CC)CN(C2C3CNCC32)C1.
What is the InChIKey of 6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is XEOZPCQNRIKOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-12(4-2)7-14(8-12)11-9-5-13-6-10(9)11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane?
6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 194.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-diethylazetidin-1-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 79670501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).