3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride

C13H25ClN4O2 — CID 120772406

IUPAC3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
SMILESCC1(CN)CCN(CCN2C(=O)NC(C)(C)C2=O)C1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-12(2)10(18)17(11(19)15-12)7-6-16-5-4-13(3,8-14)9-16;/h4-9,14H2,1-3H3,(H,15,19);1H
InChIKeyDPJKSYSJXXJQOU-UHFFFAOYSA-N
MW304.82 g/mol
LogP0.41
Rot. Bonds4

About 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride

3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride (PubChem CID 120772406) has the molecular formula C13H25ClN4O2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
PubChem CID120772406
Molecular FormulaC13H25ClN4O2
Molecular Weight304.82 g/mol
Exact Mass304.17
IUPAC Name3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
SMILESCC1(CN)CCN(CCN2C(=O)NC(C)(C)C2=O)C1.Cl
InChIInChI=1S/C13H24N4O2.ClH/c1-12(2)10(18)17(11(19)15-12)7-6-16-5-4-13(3,8-14)9-16;/h4-9,14H2,1-3H3,(H,15,19);1H
InChIKeyDPJKSYSJXXJQOU-UHFFFAOYSA-N
XLogP0.41
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43556669
[3-methyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 120773647
5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
CID 119905680
3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 63309791
3-[2-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 63595701
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 112630229
3-[2-(3-amino-5-methylpiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79994262
3-[3-(2,2-dimethylmorpholin-4-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 87016720
[3-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120773462
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120772197

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride (CID 120772406) is 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride is CC1(CN)CCN(CCN2C(=O)NC(C)(C)C2=O)C1.Cl.
What is the InChIKey of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is DPJKSYSJXXJQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.ClH/c1-12(2)10(18)17(11(19)15-12)7-6-16-5-4-13(3,8-14)9-16;/h4-9,14H2,1-3H3,(H,15,19);1H.
What are the key properties of 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride?
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 120772406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).