2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium

C36H66N9O6+3 — CID 157049530

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.C=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.C=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/3C12H21N3O2/c3*1-6-8-15(4,5)9-7-14-10(16)12(2,3)13-11(14)17/h3*6H,1,7-9H2,2-5H3/p+3
InChIKeyFDPKEYIJYFVGSG-UHFFFAOYSA-Q
MW720.98 g/mol
LogP1.74
Rot. Bonds15

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium (PubChem CID 157049530) has the molecular formula C36H66N9O6+3 and a molecular weight of 720.98 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium
PubChem CID157049530
Molecular FormulaC36H66N9O6+3
Molecular Weight720.98 g/mol
Exact Mass720.51
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.C=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.C=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/3C12H21N3O2/c3*1-6-8-15(4,5)9-7-14-10(16)12(2,3)13-11(14)17/h3*6H,1,7-9H2,2-5H3/p+3
InChIKeyFDPKEYIJYFVGSG-UHFFFAOYSA-Q
XLogP1.74
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500720.98
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium (CID 157049530) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.C=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.C=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium?
The InChIKey is FDPKEYIJYFVGSG-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C12H21N3O2/c3*1-6-8-15(4,5)9-7-14-10(16)12(2,3)13-11(14)17/h3*6H,1,7-9H2,2-5H3/p+3.
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium has a molecular weight of 720.98 g/mol, XLogP of 1.74, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 157049530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).