3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C12H21N3O2 — CID 166023008

IUPAC3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)N1CCC2(C1)NC(=O)N(C(C)C)C2=O
InChIInChI=1S/C12H21N3O2/c1-8(2)14-6-5-12(7-14)10(16)15(9(3)4)11(17)13-12/h8-9H,5-7H2,1-4H3,(H,13,17)
InChIKeyWFDHAOFMCLDSMT-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.80
Rot. Bonds2

About 3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 166023008) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID166023008
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)N1CCC2(C1)NC(=O)N(C(C)C)C2=O
InChIInChI=1S/C12H21N3O2/c1-8(2)14-6-5-12(7-14)10(16)15(9(3)4)11(17)13-12/h8-9H,5-7H2,1-4H3,(H,13,17)
InChIKeyWFDHAOFMCLDSMT-UHFFFAOYSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 166023008) is 3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CC(C)N1CCC2(C1)NC(=O)N(C(C)C)C2=O.
What is the InChIKey of 3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is WFDHAOFMCLDSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)14-6-5-12(7-14)10(16)15(9(3)4)11(17)13-12/h8-9H,5-7H2,1-4H3,(H,13,17).
What are the key properties of 3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 166023008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).