3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C13H24N4O2 — CID 112630229

IUPAC3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(N)C1CCN(CCN2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C13H24N4O2/c1-9(14)10-4-5-16(8-10)6-7-17-11(18)13(2,3)15-12(17)19/h9-10H,4-8,14H2,1-3H3,(H,15,19)
InChIKeySIQMEFKBZGEPHS-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.01
Rot. Bonds4

About 3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 112630229) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID112630229
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(N)C1CCN(CCN2C(=O)NC(C)(C)C2=O)C1
InChIInChI=1S/C13H24N4O2/c1-9(14)10-4-5-16(8-10)6-7-17-11(18)13(2,3)15-12(17)19/h9-10H,4-8,14H2,1-3H3,(H,15,19)
InChIKeySIQMEFKBZGEPHS-UHFFFAOYSA-N
XLogP-0.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.01
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-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 63595701
3-[2-(4-aminopiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43556669
5,5-dimethyl-3-[2-[3-(methylamino)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione;hydrochloride
CID 119905680
1-(1-propylpyrrolidin-3-yl)ethanamine
CID 83981022
5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56811818
3-[2-(3-amino-5-methylpiperidin-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79994262
3-[2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 63309791
3-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 120772406
1-(1-nonylpyrrolidin-3-yl)ethanamine
CID 113360760
5,5-dimethyl-3-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]imidazolidine-2,4-dione
CID 95575935
3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94393094
3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 116652528

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 112630229) is 3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CC(N)C1CCN(CCN2C(=O)NC(C)(C)C2=O)C1.
What is the InChIKey of 3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is SIQMEFKBZGEPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9(14)10-4-5-16(8-10)6-7-17-11(18)13(2,3)15-12(17)19/h9-10H,4-8,14H2,1-3H3,(H,15,19).
What are the key properties of 3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1-aminoethyl)pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 112630229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).