8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione

C13H22N2O2 — CID 3659328

IUPAC8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCN(C)CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-14(2)7-8-15-11(16)9-13(10-12(15)17)5-3-4-6-13/h3-10H2,1-2H3
InChIKeyXKYGRTDOTKUKBK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.26
Rot. Bonds3

About 8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 3659328) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID3659328
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCN(C)CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H22N2O2/c1-14(2)7-8-15-11(16)9-13(10-12(15)17)5-3-4-6-13/h3-10H2,1-2H3
InChIKeyXKYGRTDOTKUKBK-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 3659328) is 8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione is CN(C)CCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is XKYGRTDOTKUKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14(2)7-8-15-11(16)9-13(10-12(15)17)5-3-4-6-13/h3-10H2,1-2H3.
What are the key properties of 8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 238.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 3659328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).