3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride

C8H16ClN3O2 — CID 3070463

IUPAC3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride
SMILESCN(C)CCCN1C(=O)CNC1=O.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-10(2)4-3-5-11-7(12)6-9-8(11)13;/h3-6H2,1-2H3,(H,9,13);1H
InChIKeyYKJSEDJTRRYDHN-UHFFFAOYSA-N
MW221.69 g/mol
LogP-0.09
Rot. Bonds4

About 3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride

3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 3070463) has the molecular formula C8H16ClN3O2 and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID3070463
Molecular FormulaC8H16ClN3O2
Molecular Weight221.69 g/mol
Exact Mass221.09
IUPAC Name3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride
SMILESCN(C)CCCN1C(=O)CNC1=O.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-10(2)4-3-5-11-7(12)6-9-8(11)13;/h3-6H2,1-2H3,(H,9,13);1H
InChIKeyYKJSEDJTRRYDHN-UHFFFAOYSA-N
XLogP-0.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride (CID 3070463) is 3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride is CN(C)CCCN1C(=O)CNC1=O.Cl.
What is the InChIKey of 3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is YKJSEDJTRRYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2.ClH/c1-10(2)4-3-5-11-7(12)6-9-8(11)13;/h3-6H2,1-2H3,(H,9,13);1H.
What are the key properties of 3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride?
3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3070463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).