3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione

C9H17N3O2 — CID 18070377

IUPAC3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(C)N)C1=O
InChIInChI=1S/C9H17N3O2/c1-4-9(3)7(13)12(5-6(2)10)8(14)11-9/h6H,4-5,10H2,1-3H3,(H,11,14)
InChIKeyPJMHJVLFPRWQMW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.05
Rot. Bonds3

About 3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione

3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 18070377) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID18070377
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(C)N)C1=O
InChIInChI=1S/C9H17N3O2/c1-4-9(3)7(13)12(5-6(2)10)8(14)11-9/h6H,4-5,10H2,1-3H3,(H,11,14)
InChIKeyPJMHJVLFPRWQMW-UHFFFAOYSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234369
3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82148488
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63039438
3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955
3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 63629297
5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
CID 60673570
3-(2,2-diethoxyethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 75511262
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
3-(2-aminopropyl)-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 18073152
ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate
CID 95357591
3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 61396577

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione (CID 18070377) is 3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(CC(C)N)C1=O.
What is the InChIKey of 3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is PJMHJVLFPRWQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-9(3)7(13)12(5-6(2)10)8(14)11-9/h6H,4-5,10H2,1-3H3,(H,11,14).
What are the key properties of 3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione?
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 199.25 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 18070377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).