3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione

C9H17N3O2 — CID 61387578

IUPAC3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCNCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H17N3O2/c1-4-10-5-6-12-7(13)9(2,3)11-8(12)14/h10H,4-6H2,1-3H3,(H,11,14)
InChIKeyMLJLIZZHGKTZFK-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.07
Rot. Bonds4

About 3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 61387578) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID61387578
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCNCCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C9H17N3O2/c1-4-10-5-6-12-7(13)9(2,3)11-8(12)14/h10H,4-6H2,1-3H3,(H,11,14)
InChIKeyMLJLIZZHGKTZFK-UHFFFAOYSA-N
XLogP-0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-[2-(propylamino)ethyl]imidazolidine-2,4-dione
CID 61387575
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
CID 43466330
5,5-dimethyl-3-[2-(3-triethoxysilylpropylamino)ethyl]imidazolidine-2,4-dione
CID 69250773
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63040568
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
6-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]-4-methylhexanoic acid
CID 65289762
3-[2-[(2,6-dimethylcyclohexyl)amino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 75444192
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
3-[2-(ethylamino)ethyl]-5-methylidenephosphanyl-5-phenylimidazolidine-2,4-dione
CID 91058724
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium
CID 158812623

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 61387578) is 3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione is CCNCCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is MLJLIZZHGKTZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-10-5-6-12-7(13)9(2,3)11-8(12)14/h10H,4-6H2,1-3H3,(H,11,14).
What are the key properties of 3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 199.25 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 61387578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).