9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane

C8H15NO2 — CID 90360516

IUPAC9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane
SMILESCCN1C2COCC1COC2
InChIInChI=1S/C8H15NO2/c1-2-9-7-3-10-5-8(9)6-11-4-7/h7-8H,2-6H2,1H3
InChIKeyLGHIWSKYNGNBMQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.11
Rot. Bonds1

About 9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane

9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane (PubChem CID 90360516) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane
PubChem CID90360516
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane
SMILESCCN1C2COCC1COC2
InChIInChI=1S/C8H15NO2/c1-2-9-7-3-10-5-8(9)6-11-4-7/h7-8H,2-6H2,1H3
InChIKeyLGHIWSKYNGNBMQ-UHFFFAOYSA-N
XLogP0.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane (CID 90360516) is 9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane is CCN1C2COCC1COC2.
What is the InChIKey of 9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane?
The InChIKey is LGHIWSKYNGNBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-9-7-3-10-5-8(9)6-11-4-7/h7-8H,2-6H2,1H3.
What are the key properties of 9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane?
9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane has a molecular weight of 157.21 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3,7-dioxa-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 90360516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).