3-[3-(ethylamino)propyl]imidazolidine-2,4-dione

C8H15N3O2 — CID 18340122

IUPAC3-[3-(ethylamino)propyl]imidazolidine-2,4-dione
SMILESCCNCCCN1C(=O)CNC1=O
InChIInChI=1S/C8H15N3O2/c1-2-9-4-3-5-11-7(12)6-10-8(11)13/h9H,2-6H2,1H3,(H,10,13)
InChIKeyNPLWFQGTPALHLG-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.46
Rot. Bonds5

About 3-[3-(ethylamino)propyl]imidazolidine-2,4-dione

3-[3-(ethylamino)propyl]imidazolidine-2,4-dione (PubChem CID 18340122) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-[3-(ethylamino)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(ethylamino)propyl]imidazolidine-2,4-dione
PubChem CID18340122
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-[3-(ethylamino)propyl]imidazolidine-2,4-dione
SMILESCCNCCCN1C(=O)CNC1=O
InChIInChI=1S/C8H15N3O2/c1-2-9-4-3-5-11-7(12)6-10-8(11)13/h9H,2-6H2,1H3,(H,10,13)
InChIKeyNPLWFQGTPALHLG-UHFFFAOYSA-N
XLogP-0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.46
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

1-Methylhydantoin
CID 69217
3-(Propan-2-yl)imidazolidine-2,4-dione
CID 568085
1-Ethylimidazolidine-2,4,5-trione
CID 3301639
2,4-Imidazolidinedione, 3-methyl-
CID 138851
N-Acetylimidazolidinone
CID 79350
3,5-Dimethyl-2,4-Imidazolidinedione
CID 10154061
3,6,8-Trimethylallantoin
CID 181740
1-Propylimidazolidine-2,4,5-trione
CID 181667
3-Ethyl-5,5-dimethylimidazolidine-2,4-dione
CID 588189
3-Ethylimidazolidine-2,4-dione
CID 13258388
3-Butylimidazolidine-2,4-dione
CID 568235
Hydantoin, 3-(3-(dimethylamino)propyl)-, hydrochloride
CID 3070463

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(ethylamino)propyl]imidazolidine-2,4-dione (CID 18340122) is 3-[3-(ethylamino)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(ethylamino)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(ethylamino)propyl]imidazolidine-2,4-dione is CCNCCCN1C(=O)CNC1=O.
What is the InChIKey of 3-[3-(ethylamino)propyl]imidazolidine-2,4-dione?
The InChIKey is NPLWFQGTPALHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-9-4-3-5-11-7(12)6-10-8(11)13/h9H,2-6H2,1H3,(H,10,13).
What are the key properties of 3-[3-(ethylamino)propyl]imidazolidine-2,4-dione?
3-[3-(ethylamino)propyl]imidazolidine-2,4-dione has a molecular weight of 185.23 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18340122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).