5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

C20H30N2O — CID 3040372

IUPAC5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCC1NCCOC12CCN(C1CCc3ccccc3C1)CC2
InChIInChI=1S/C20H30N2O/c1-2-19-20(23-14-11-21-19)9-12-22(13-10-20)18-8-7-16-5-3-4-6-17(16)15-18/h3-6,18-19,21H,2,7-15H2,1H3
InChIKeyLLICSZUHKFMHBD-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.78
Rot. Bonds2

About 5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 3040372) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID3040372
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCCC1NCCOC12CCN(C1CCc3ccccc3C1)CC2
InChIInChI=1S/C20H30N2O/c1-2-19-20(23-14-11-21-19)9-12-22(13-10-20)18-8-7-16-5-3-4-6-17(16)15-18/h3-6,18-19,21H,2,7-15H2,1H3
InChIKeyLLICSZUHKFMHBD-UHFFFAOYSA-N
XLogP2.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 3040372) is 5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is CCC1NCCOC12CCN(C1CCc3ccccc3C1)CC2.
What is the InChIKey of 5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is LLICSZUHKFMHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-19-20(23-14-11-21-19)9-12-22(13-10-20)18-8-7-16-5-3-4-6-17(16)15-18/h3-6,18-19,21H,2,7-15H2,1H3.
What are the key properties of 5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 314.47 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 3040372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).