8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H39N3O2 — CID 26214207

About 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26214207) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26214207
• Molecular Formula: C21H39N3O2
• Molecular Weight: 365.56 g/mol
• Exact Mass: 365.30
• IUPAC Name: 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(CC(C)(C)C)CC2
• InChI: InChI=1S/C21H39N3O2/c1-16(2)8-11-24-19(26)23(14-17(3)4)18(25)21(24)9-12-22(13-10-21)15-20(5,6)7/h16-17H,8-15H2,1-7H3
• InChIKey: YIXNMYYJFJYKGD-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.56
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26214207) is 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CCN(CC(C)(C)C)CC2.

What is the InChIKey of 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is YIXNMYYJFJYKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-16(2)8-11-24-19(26)23(14-17(3)4)18(25)21(24)9-12-22(13-10-21)15-20(5,6)7/h16-17H,8-15H2,1-7H3.

What are the key properties of 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 365.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26214207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).