(10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione

C16H28N2O2 — CID 125489566

IUPAC(10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESC[C@H]1CCCC2(CC(=O)N(CCCN(C)C)C(=O)C2)C1
InChIInChI=1S/C16H28N2O2/c1-13-6-4-7-16(10-13)11-14(19)18(15(20)12-16)9-5-8-17(2)3/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyRXTKEUVCFVFEEY-ZDUSSCGKSA-N
MW280.41 g/mol
LogP2.28
Rot. Bonds4

About (10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione

(10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 125489566) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name(10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID125489566
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione
SMILESC[C@H]1CCCC2(CC(=O)N(CCCN(C)C)C(=O)C2)C1
InChIInChI=1S/C16H28N2O2/c1-13-6-4-7-16(10-13)11-14(19)18(15(20)12-16)9-5-8-17(2)3/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyRXTKEUVCFVFEEY-ZDUSSCGKSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-8-[3-(dimethylamino)propyl]-3-methyl-8-azaspiro[4.5]decane-7,9-dione
CID 125495895
(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one
CID 163396323
3,8-dimethyl-8-azaspiro[4.5]decane-7,9-dione
CID 119092959
1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione
CID 142676515
3-[5-(diethylamino)pentyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489526
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691
8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 139959182
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551
3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 62642476
1-[10-(dimethylamino)decyl]pyrrolidine-2,5-dione
CID 70504867
8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 165344828
8-[4-[methyl(5,6,7,8-tetrahydroquinolin-7-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 14835936

Frequently Asked Questions

What is the IUPAC name of (10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of (10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione (CID 125489566) is (10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for (10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for (10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione is C[C@H]1CCCC2(CC(=O)N(CCCN(C)C)C(=O)C2)C1.
What is the InChIKey of (10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is RXTKEUVCFVFEEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13-6-4-7-16(10-13)11-14(19)18(15(20)12-16)9-5-8-17(2)3/h13H,4-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione?
(10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 280.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-3-[3-(dimethylamino)propyl]-10-methyl-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 125489566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).