3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H23N3O2 — CID 18714089

IUPAC3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C13H23N3O2/c1-11(2)7-13(8-12(3,4)16(11)6)9(17)15(5)10(18)14-13/h7-8H2,1-6H3,(H,14,18)
InChIKeyFJOLZTUMBDQIOL-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.19
Rot. Bonds

About 3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 18714089) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID18714089
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C13H23N3O2/c1-11(2)7-13(8-12(3,4)16(11)6)9(17)15(5)10(18)14-13/h7-8H2,1-6H3,(H,14,18)
InChIKeyFJOLZTUMBDQIOL-UHFFFAOYSA-N
XLogP1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 18714089) is 3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O.
What is the InChIKey of 3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is FJOLZTUMBDQIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(2)7-13(8-12(3,4)16(11)6)9(17)15(5)10(18)14-13/h7-8H2,1-6H3,(H,14,18).
What are the key properties of 3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7,8,9,9-hexamethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18714089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).