7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane

C9H17NO2 — CID 90054026

IUPAC7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCCN1CC2(CC1C)OCCO2
InChIInChI=1S/C9H17NO2/c1-3-10-7-9(6-8(10)2)11-4-5-12-9/h8H,3-7H2,1-2H3
InChIKeyYHPKNQHLWQRFRH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds1

About 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane

7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 90054026) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID90054026
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCCN1CC2(CC1C)OCCO2
InChIInChI=1S/C9H17NO2/c1-3-10-7-9(6-8(10)2)11-4-5-12-9/h8H,3-7H2,1-2H3
InChIKeyYHPKNQHLWQRFRH-UHFFFAOYSA-N
XLogP0.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane (CID 90054026) is 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane is CCN1CC2(CC1C)OCCO2.
What is the InChIKey of 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is YHPKNQHLWQRFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10-7-9(6-8(10)2)11-4-5-12-9/h8H,3-7H2,1-2H3.
What are the key properties of 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane?
7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 171.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 90054026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).