3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione

C10H19N3O3 — CID 112734238

IUPAC3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione
SMILESCN(CCN1C(=O)CNC1=O)CC(C)(C)O
InChIInChI=1S/C10H19N3O3/c1-10(2,16)7-12(3)4-5-13-8(14)6-11-9(13)15/h16H,4-7H2,1-3H3,(H,11,15)
InChIKeyXMELJDGIGKICCM-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.76
Rot. Bonds5

About 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione

3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione (PubChem CID 112734238) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione
PubChem CID112734238
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione
SMILESCN(CCN1C(=O)CNC1=O)CC(C)(C)O
InChIInChI=1S/C10H19N3O3/c1-10(2,16)7-12(3)4-5-13-8(14)6-11-9(13)15/h16H,4-7H2,1-3H3,(H,11,15)
InChIKeyXMELJDGIGKICCM-UHFFFAOYSA-N
XLogP-0.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione (CID 112734238) is 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione is CN(CCN1C(=O)CNC1=O)CC(C)(C)O.
What is the InChIKey of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione?
The InChIKey is XMELJDGIGKICCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,16)7-12(3)4-5-13-8(14)6-11-9(13)15/h16H,4-7H2,1-3H3,(H,11,15).
What are the key properties of 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione?
3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione has a molecular weight of 229.28 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112734238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).