3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium

C11H22N3O2+ — CID 91386133

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium
SMILESCC1(C)NC(=O)N(CCC[N+](C)(C)C)C1=O
InChIInChI=1S/C11H21N3O2/c1-11(2)9(15)13(10(16)12-11)7-6-8-14(3,4)5/h6-8H2,1-5H3/p+1
InChIKeyZRILJSFHINZBNU-UHFFFAOYSA-O
MW228.32 g/mol
LogP0.41
Rot. Bonds4

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium (PubChem CID 91386133) has the molecular formula C11H22N3O2+ and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium
PubChem CID91386133
Molecular FormulaC11H22N3O2+
Molecular Weight228.32 g/mol
Exact Mass228.17
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium
SMILESCC1(C)NC(=O)N(CCC[N+](C)(C)C)C1=O
InChIInChI=1S/C11H21N3O2/c1-11(2)9(15)13(10(16)12-11)7-6-8-14(3,4)5/h6-8H2,1-5H3/p+1
InChIKeyZRILJSFHINZBNU-UHFFFAOYSA-O
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium (CID 91386133) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium is CC1(C)NC(=O)N(CCC[N+](C)(C)C)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium?
The InChIKey is ZRILJSFHINZBNU-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21N3O2/c1-11(2)9(15)13(10(16)12-11)7-6-8-14(3,4)5/h6-8H2,1-5H3/p+1.
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium has a molecular weight of 228.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium is sourced from PubChem (CID 91386133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).