1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C12H21N3O2 — CID 166054973

IUPAC1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)N1CCC2(CC1)C(=O)N(C)C(=O)N2C
InChIInChI=1S/C12H21N3O2/c1-9(2)15-7-5-12(6-8-15)10(16)13(3)11(17)14(12)4/h9H,5-8H2,1-4H3
InChIKeyZUVWUDBHUNREMP-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.75
Rot. Bonds1

About 1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166054973) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166054973
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)N1CCC2(CC1)C(=O)N(C)C(=O)N2C
InChIInChI=1S/C12H21N3O2/c1-9(2)15-7-5-12(6-8-15)10(16)13(3)11(17)14(12)4/h9H,5-8H2,1-4H3
InChIKeyZUVWUDBHUNREMP-UHFFFAOYSA-N
XLogP0.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.75
H-Bond Donors ≤ 50
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 1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166054973) is 1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)N1CCC2(CC1)C(=O)N(C)C(=O)N2C.
What is the InChIKey of 1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZUVWUDBHUNREMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)15-7-5-12(6-8-15)10(16)13(3)11(17)14(12)4/h9H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166054973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).