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

C11H22ClN3O2 — CID 155562366

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride
SMILESCC1(C)NC(=O)N(CCC[N+](C)(C)C)C1=O.[Cl-]
InChIInChI=1S/C11H21N3O2.ClH/c1-11(2)9(15)13(10(16)12-11)7-6-8-14(3,4)5;/h6-8H2,1-5H3;1H
InChIKeySYOVBNKIPJULTJ-UHFFFAOYSA-N
MW263.77 g/mol
LogP-2.58
Rot. Bonds4

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

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride (PubChem CID 155562366) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride
PubChem CID155562366
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride
SMILESCC1(C)NC(=O)N(CCC[N+](C)(C)C)C1=O.[Cl-]
InChIInChI=1S/C11H21N3O2.ClH/c1-11(2)9(15)13(10(16)12-11)7-6-8-14(3,4)5;/h6-8H2,1-5H3;1H
InChIKeySYOVBNKIPJULTJ-UHFFFAOYSA-N
XLogP-2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 5-2.58
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 chloride?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride (CID 155562366) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride is CC1(C)NC(=O)N(CCC[N+](C)(C)C)C1=O.[Cl-].
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
The InChIKey is SYOVBNKIPJULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-11(2)9(15)13(10(16)12-11)7-6-8-14(3,4)5;/h6-8H2,1-5H3;1H.
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride has a molecular weight of 263.77 g/mol, XLogP of -2.58, 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 chloride is sourced from PubChem (CID 155562366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).