2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane

C13H25NO2 — CID 65122724

IUPAC2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCCC1CNCC2(CCOC(C(C)C)C2)O1
InChIInChI=1S/C13H25NO2/c1-4-11-8-14-9-13(16-11)5-6-15-12(7-13)10(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyJLNICISBCGNPNP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds2

About 2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane

2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane (PubChem CID 65122724) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane
PubChem CID65122724
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane
SMILESCCC1CNCC2(CCOC(C(C)C)C2)O1
InChIInChI=1S/C13H25NO2/c1-4-11-8-14-9-13(16-11)5-6-15-12(7-13)10(2)3/h10-12,14H,4-9H2,1-3H3
InChIKeyJLNICISBCGNPNP-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane (CID 65122724) is 2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane is CCC1CNCC2(CCOC(C(C)C)C2)O1.
What is the InChIKey of 2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane?
The InChIKey is JLNICISBCGNPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-11-8-14-9-13(16-11)5-6-15-12(7-13)10(2)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane?
2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane has a molecular weight of 227.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-propan-2-yl-1,9-dioxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65122724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).