1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione

C12H21N3O3 — CID 106708357

IUPAC1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CCCCC(C)(C)CN)C1=O
InChIInChI=1S/C12H21N3O3/c1-12(2,8-13)6-4-5-7-15-10(17)9(16)14(3)11(15)18/h4-8,13H2,1-3H3
InChIKeyJNOSTJHITPCTDE-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.56
Rot. Bonds6

About 1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione

1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione (PubChem CID 106708357) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione
PubChem CID106708357
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CCCCC(C)(C)CN)C1=O
InChIInChI=1S/C12H21N3O3/c1-12(2,8-13)6-4-5-7-15-10(17)9(16)14(3)11(15)18/h4-8,13H2,1-3H3
InChIKeyJNOSTJHITPCTDE-UHFFFAOYSA-N
XLogP0.56
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione (CID 106708357) is 1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(CCCCC(C)(C)CN)C1=O.
What is the InChIKey of 1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione?
The InChIKey is JNOSTJHITPCTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(2,8-13)6-4-5-7-15-10(17)9(16)14(3)11(15)18/h4-8,13H2,1-3H3.
What are the key properties of 1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione?
1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione has a molecular weight of 255.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 106708357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).