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

C12H23ClN4O2 — CID 119905680

IUPAC5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCNC1CCN(CCN2C(=O)NC(C)(C)C2=O)C1.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-12(2)10(17)16(11(18)14-12)7-6-15-5-4-9(8-15)13-3;/h9,13H,4-8H2,1-3H3,(H,14,18);1H
InChIKeyFCOPZLSIFJUCOW-UHFFFAOYSA-N
MW290.80 g/mol
LogP0.03
Rot. Bonds4

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

5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 119905680) has the molecular formula C12H23ClN4O2 and a molecular weight of 290.80 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID119905680
Molecular FormulaC12H23ClN4O2
Molecular Weight290.80 g/mol
Exact Mass290.15
IUPAC Name5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCNC1CCN(CCN2C(=O)NC(C)(C)C2=O)C1.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-12(2)10(17)16(11(18)14-12)7-6-15-5-4-9(8-15)13-3;/h9,13H,4-8H2,1-3H3,(H,14,18);1H
InChIKeyFCOPZLSIFJUCOW-UHFFFAOYSA-N
XLogP0.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 50.03
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 5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride (CID 119905680) is 5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride is CNC1CCN(CCN2C(=O)NC(C)(C)C2=O)C1.Cl.
What is the InChIKey of 5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is FCOPZLSIFJUCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2.ClH/c1-12(2)10(17)16(11(18)14-12)7-6-15-5-4-9(8-15)13-3;/h9,13H,4-8H2,1-3H3,(H,14,18);1H.
What are the key properties of 5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride?
5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 0.03, 4 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-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119905680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).