2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione

C18H32N2O2 — CID 15634112

IUPAC2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCCC1(CC)CCC2(CC1)CC(=O)N(CCCN(C)C)C2=O
InChIInChI=1S/C18H32N2O2/c1-5-17(6-2)8-10-18(11-9-17)14-15(21)20(16(18)22)13-7-12-19(3)4/h5-14H2,1-4H3
InChIKeyQJITXWQXQPVAJH-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.06
Rot. Bonds6

About 2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione

2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 15634112) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione
PubChem CID15634112
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCCC1(CC)CCC2(CC1)CC(=O)N(CCCN(C)C)C2=O
InChIInChI=1S/C18H32N2O2/c1-5-17(6-2)8-10-18(11-9-17)14-15(21)20(16(18)22)13-7-12-19(3)4/h5-14H2,1-4H3
InChIKeyQJITXWQXQPVAJH-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.06
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 2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione (CID 15634112) is 2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione is CCC1(CC)CCC2(CC1)CC(=O)N(CCCN(C)C)C2=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is QJITXWQXQPVAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-5-17(6-2)8-10-18(11-9-17)14-15(21)20(16(18)22)13-7-12-19(3)4/h5-14H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione?
2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 308.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-8,8-diethyl-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 15634112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).