8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane

C16H31NO2 — CID 69488227

IUPAC8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(OCC(C)CO2)C(C)C(C)(CC)N1
InChIInChI=1S/C16H31NO2/c1-7-14(5)11-16(18-9-12(3)10-19-16)13(4)15(6,8-2)17-14/h12-13,17H,7-11H2,1-6H3
InChIKeyKDXXTAWFSXGBGH-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.33
Rot. Bonds2

About 8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane

8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 69488227) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID69488227
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(OCC(C)CO2)C(C)C(C)(CC)N1
InChIInChI=1S/C16H31NO2/c1-7-14(5)11-16(18-9-12(3)10-19-16)13(4)15(6,8-2)17-14/h12-13,17H,7-11H2,1-6H3
InChIKeyKDXXTAWFSXGBGH-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 69488227) is 8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane is CCC1(C)CC2(OCC(C)CO2)C(C)C(C)(CC)N1.
What is the InChIKey of 8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is KDXXTAWFSXGBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-7-14(5)11-16(18-9-12(3)10-19-16)13(4)15(6,8-2)17-14/h12-13,17H,7-11H2,1-6H3.
What are the key properties of 8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?
8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 269.43 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 69488227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).