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

C12H21N3O2 — CID 22097463

IUPAC3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)NC(=O)N(C(C)(C)C)C2=O
InChIInChI=1S/C12H21N3O2/c1-11(2,3)15-9(16)12(13-10(15)17)5-7-14(4)8-6-12/h5-8H2,1-4H3,(H,13,17)
InChIKeyXCANXSKXNDEBQT-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.80
Rot. Bonds

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

3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 22097463) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID22097463
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)NC(=O)N(C(C)(C)C)C2=O
InChIInChI=1S/C12H21N3O2/c1-11(2,3)15-9(16)12(13-10(15)17)5-7-14(4)8-6-12/h5-8H2,1-4H3,(H,13,17)
InChIKeyXCANXSKXNDEBQT-UHFFFAOYSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-tert-butyl-8-methyl-1,3,8-triazaspiro[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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 22097463) is 3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CCC2(CC1)NC(=O)N(C(C)(C)C)C2=O.
What is the InChIKey of 3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XCANXSKXNDEBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(2,3)15-9(16)12(13-10(15)17)5-7-14(4)8-6-12/h5-8H2,1-4H3,(H,13,17).
What are the key properties of 3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 22097463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).