2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane

C14H27NO2 — CID 114497172

IUPAC2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCCC1(CC)CNCC2(CCOC(C)(C)C2)O1
InChIInChI=1S/C14H27NO2/c1-5-13(6-2)10-15-11-14(17-13)7-8-16-12(3,4)9-14/h15H,5-11H2,1-4H3
InChIKeyDHQORKGKKUZLGY-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds2

About 2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane

2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 114497172) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID114497172
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCCC1(CC)CNCC2(CCOC(C)(C)C2)O1
InChIInChI=1S/C14H27NO2/c1-5-13(6-2)10-15-11-14(17-13)7-8-16-12(3,4)9-14/h15H,5-11H2,1-4H3
InChIKeyDHQORKGKKUZLGY-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane (CID 114497172) is 2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane is CCC1(CC)CNCC2(CCOC(C)(C)C2)O1.
What is the InChIKey of 2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is DHQORKGKKUZLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-13(6-2)10-15-11-14(17-13)7-8-16-12(3,4)9-14/h15H,5-11H2,1-4H3.
What are the key properties of 2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane?
2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 241.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-10,10-dimethyl-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 114497172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).