5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C13H24N4O2 — CID 81491302

IUPAC5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCNCC1CCCN1CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H24N4O2/c1-13(2)11(18)17(12(19)15-13)8-7-16-6-4-5-10(16)9-14-3/h10,14H,4-9H2,1-3H3,(H,15,19)
InChIKeyRVMZDWJJRWHDKH-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.00
Rot. Bonds5

About 5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 81491302) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID81491302
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCNCC1CCCN1CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H24N4O2/c1-13(2)11(18)17(12(19)15-13)8-7-16-6-4-5-10(16)9-14-3/h10,14H,4-9H2,1-3H3,(H,15,19)
InChIKeyRVMZDWJJRWHDKH-UHFFFAOYSA-N
XLogP0.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94393094
3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62020103
3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94796956
3-[2-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 128987293
5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94178433
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidin-2-one
CID 115316650
5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
CID 119905680
5,5-dimethyl-3-[2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 35429886
5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129338308
3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43556669
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
CID 115316873
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 119650021

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 81491302) is 5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is CNCC1CCCN1CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is RVMZDWJJRWHDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-13(2)11(18)17(12(19)15-13)8-7-16-6-4-5-10(16)9-14-3/h10,14H,4-9H2,1-3H3,(H,15,19).
What are the key properties of 5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 81491302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).