1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane

C17H19NO — CID 140721328

IUPAC1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESCCOc1c(C23CNCC2C3)ccc2ccccc12
InChIInChI=1S/C17H19NO/c1-2-19-16-14-6-4-3-5-12(14)7-8-15(16)17-9-13(17)10-18-11-17/h3-8,13,18H,2,9-11H2,1H3
InChIKeyCKHIQWJOQXYPQB-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.10
Rot. Bonds3

About 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane

1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 140721328) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID140721328
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane
SMILESCCOc1c(C23CNCC2C3)ccc2ccccc12
InChIInChI=1S/C17H19NO/c1-2-19-16-14-6-4-3-5-12(14)7-8-15(16)17-9-13(17)10-18-11-17/h3-8,13,18H,2,9-11H2,1H3
InChIKeyCKHIQWJOQXYPQB-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane (CID 140721328) is 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane is CCOc1c(C23CNCC2C3)ccc2ccccc12.
What is the InChIKey of 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is CKHIQWJOQXYPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-19-16-14-6-4-3-5-12(14)7-8-15(16)17-9-13(17)10-18-11-17/h3-8,13,18H,2,9-11H2,1H3.
What are the key properties of 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane?
1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 253.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 140721328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).