3-ethyl-3-azabicyclo[3.1.0]hexane

C7H13N — CID 69176949

IUPAC3-ethyl-3-azabicyclo[3.1.0]hexane
SMILESCCN1CC2CC2C1
InChIInChI=1S/C7H13N/c1-2-8-4-6-3-7(6)5-8/h6-7H,2-5H2,1H3
InChIKeyJDAFADIGSWFDNX-UHFFFAOYSA-N
MW111.19 g/mol
LogP0.96
Rot. Bonds1

About 3-ethyl-3-azabicyclo[3.1.0]hexane

3-ethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 69176949) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-ethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-ethyl-3-azabicyclo[3.1.0]hexane
PubChem CID69176949
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-ethyl-3-azabicyclo[3.1.0]hexane
SMILESCCN1CC2CC2C1
InChIInChI=1S/C7H13N/c1-2-8-4-6-3-7(6)5-8/h6-7H,2-5H2,1H3
InChIKeyJDAFADIGSWFDNX-UHFFFAOYSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-ethyl-3-azabicyclo[3.1.0]hexane (CID 69176949) is 3-ethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-ethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-ethyl-3-azabicyclo[3.1.0]hexane is CCN1CC2CC2C1.
What is the InChIKey of 3-ethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is JDAFADIGSWFDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-8-4-6-3-7(6)5-8/h6-7H,2-5H2,1H3.
What are the key properties of 3-ethyl-3-azabicyclo[3.1.0]hexane?
3-ethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 111.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 69176949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).