3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C13H22N2O2 — CID 61289943

IUPAC3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(C(C)(C)C)C2=O
InChIInChI=1S/C13H22N2O2/c1-9-5-7-13(8-6-9)10(16)15(11(17)14-13)12(2,3)4/h9H,5-8H2,1-4H3,(H,14,17)
InChIKeyOFCWUUGUYIXUCY-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.29
Rot. Bonds

About 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 61289943) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID61289943
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(C(C)(C)C)C2=O
InChIInChI=1S/C13H22N2O2/c1-9-5-7-13(8-6-9)10(16)15(11(17)14-13)12(2,3)4/h9H,5-8H2,1-4H3,(H,14,17)
InChIKeyOFCWUUGUYIXUCY-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097463
3-ethyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60642768
3,5,5-tritert-butylimidazolidine-2,4-dione
CID 166023009
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetaldehyde
CID 62025356
3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
3-(3-hydroxypropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509771
2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile
CID 65257745
3-(1-amino-2-methylpropan-2-yl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 104523226
3-[(2,2-dichlorocyclopropyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4884645
3-[[1-(bromomethyl)cyclopropyl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65008305
3-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11920976
3-(3-bromo-2-methylpropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 64995610

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 61289943) is 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(C(C)(C)C)C2=O.
What is the InChIKey of 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is OFCWUUGUYIXUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-5-7-13(8-6-9)10(16)15(11(17)14-13)12(2,3)4/h9H,5-8H2,1-4H3,(H,14,17).
What are the key properties of 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 61289943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).