3-ethyl-1-azabicyclo[3.1.0]hexane

C7H13N — CID 59715797

IUPAC3-ethyl-1-azabicyclo[3.1.0]hexane
SMILESCCC1CC2CN2C1
InChIInChI=1S/C7H13N/c1-2-6-3-7-5-8(7)4-6/h6-7H,2-5H2,1H3
InChIKeyCHWSIBZDCHAOIO-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.10
Rot. Bonds1

About 3-ethyl-1-azabicyclo[3.1.0]hexane

3-ethyl-1-azabicyclo[3.1.0]hexane (PubChem CID 59715797) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-ethyl-1-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-ethyl-1-azabicyclo[3.1.0]hexane
PubChem CID59715797
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-ethyl-1-azabicyclo[3.1.0]hexane
SMILESCCC1CC2CN2C1
InChIInChI=1S/C7H13N/c1-2-6-3-7-5-8(7)4-6/h6-7H,2-5H2,1H3
InChIKeyCHWSIBZDCHAOIO-UHFFFAOYSA-N
XLogP1.10
TPSA3.01 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 ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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3-(3-ethylazetidin-1-yl)-1-methylpyrrolidine
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N,1-dicyclohexyl-5-ethylpiperidin-3-amine
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1-(3-ethylcyclopentyl)piperidin-3-amine
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3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-ethyl-1-azabicyclo[3.1.0]hexane (CID 59715797) is 3-ethyl-1-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-ethyl-1-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-ethyl-1-azabicyclo[3.1.0]hexane is CCC1CC2CN2C1.
What is the InChIKey of 3-ethyl-1-azabicyclo[3.1.0]hexane?
The InChIKey is CHWSIBZDCHAOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-6-3-7-5-8(7)4-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-ethyl-1-azabicyclo[3.1.0]hexane?
3-ethyl-1-azabicyclo[3.1.0]hexane has a molecular weight of 111.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 59715797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).