3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione

C19H34N2O2 — CID 125489526

IUPAC3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCN(CC)CCCCCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C19H34N2O2/c1-3-20(4-2)13-9-6-10-14-21-17(22)15-19(16-18(21)23)11-7-5-8-12-19/h3-16H2,1-2H3
InChIKeyLWCGAZHBPGRUTG-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.60
Rot. Bonds8

About 3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione

3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 125489526) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID125489526
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESCCN(CC)CCCCCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C19H34N2O2/c1-3-20(4-2)13-9-6-10-14-21-17(22)15-19(16-18(21)23)11-7-5-8-12-19/h3-16H2,1-2H3
InChIKeyLWCGAZHBPGRUTG-UHFFFAOYSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione (CID 125489526) is 3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione is CCN(CC)CCCCCN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is LWCGAZHBPGRUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-3-20(4-2)13-9-6-10-14-21-17(22)15-19(16-18(21)23)11-7-5-8-12-19/h3-16H2,1-2H3.
What are the key properties of 3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione?
3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 322.49 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 125489526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).