3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane

C9H17NO2 — CID 19883302

IUPAC3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCC1COC2(CCNCC2)O1
InChIInChI=1S/C9H17NO2/c1-2-8-7-11-9(12-8)3-5-10-6-4-9/h8,10H,2-7H2,1H3
InChIKeyNUVGKWXXLCDUAW-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds1

About 3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane

3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 19883302) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID19883302
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCC1COC2(CCNCC2)O1
InChIInChI=1S/C9H17NO2/c1-2-8-7-11-9(12-8)3-5-10-6-4-9/h8,10H,2-7H2,1H3
InChIKeyNUVGKWXXLCDUAW-UHFFFAOYSA-N
XLogP0.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 19883302) is 3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane is CCC1COC2(CCNCC2)O1.
What is the InChIKey of 3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is NUVGKWXXLCDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-8-7-11-9(12-8)3-5-10-6-4-9/h8,10H,2-7H2,1H3.
What are the key properties of 3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane?
3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 171.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 19883302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).