butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium

C13H26N3O2+ — CID 158812623

IUPACbutyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium
SMILESCCCC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H25N3O2/c1-6-7-9-16(4,5)10-8-15-11(17)13(2,3)14-12(15)18/h6-10H2,1-5H3/p+1
InChIKeyWFSVZHCQDNZFEE-UHFFFAOYSA-O
MW256.37 g/mol
LogP1.19
Rot. Bonds6

About butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium

butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium (PubChem CID 158812623) has the molecular formula C13H26N3O2+ and a molecular weight of 256.37 g/mol. Its IUPAC name is butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium.

Molecular Properties

Compound Namebutyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium
PubChem CID158812623
Molecular FormulaC13H26N3O2+
Molecular Weight256.37 g/mol
Exact Mass256.20
IUPAC Namebutyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium
SMILESCCCC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H25N3O2/c1-6-7-9-16(4,5)10-8-15-11(17)13(2,3)14-12(15)18/h6-10H2,1-5H3/p+1
InChIKeyWFSVZHCQDNZFEE-UHFFFAOYSA-O
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.19
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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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium
CID 157049530
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride
CID 161165619
5,5-dimethyl-3-[2-(propylamino)ethyl]imidazolidine-2,4-dione
CID 61387575
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 61387578
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63040568
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
3-[3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methyl-trimethylsilyloxysilyl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 70538226
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium?
The IUPAC name of butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium (CID 158812623) is butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium.
What is the SMILES notation for butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium?
The canonical SMILES for butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium is CCCC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium?
The InChIKey is WFSVZHCQDNZFEE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H25N3O2/c1-6-7-9-16(4,5)10-8-15-11(17)13(2,3)14-12(15)18/h6-10H2,1-5H3/p+1.
What are the key properties of butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium?
butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium has a molecular weight of 256.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium is sourced from PubChem (CID 158812623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).