3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione

C16H28N2O2 — CID 125489551

IUPAC3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCN(CC)CCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H28N2O2/c1-3-17(4-2)10-11-18-14(19)12-16(13-15(18)20)8-6-5-7-9-16/h3-13H2,1-2H3
InChIKeyPQOIBFFAYVMUBT-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.43
Rot. Bonds5

About 3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione

3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 125489551) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID125489551
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCN(CC)CCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H28N2O2/c1-3-17(4-2)10-11-18-14(19)12-16(13-15(18)20)8-6-5-7-9-16/h3-13H2,1-2H3
InChIKeyPQOIBFFAYVMUBT-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.43
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 3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione (CID 125489551) is 3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione is CCN(CC)CCN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is PQOIBFFAYVMUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-17(4-2)10-11-18-14(19)12-16(13-15(18)20)8-6-5-7-9-16/h3-13H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione?
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 280.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 125489551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).