3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione

C15H26N6O4 — CID 14008502

IUPAC3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CCN)C(=O)N1CN1C(=O)N(CCN)C(=O)C1(C)C
InChIInChI=1S/C15H26N6O4/c1-14(2)10(22)18(7-5-16)12(24)20(14)9-21-13(25)19(8-6-17)11(23)15(21,3)4/h5-9,16-17H2,1-4H3
InChIKeyJOPLCGAPAGBJMP-UHFFFAOYSA-N
MW354.41 g/mol
LogP-1.05
Rot. Bonds6

About 3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione

3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 14008502) has the molecular formula C15H26N6O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID14008502
Molecular FormulaC15H26N6O4
Molecular Weight354.41 g/mol
Exact Mass354.20
IUPAC Name3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CCN)C(=O)N1CN1C(=O)N(CCN)C(=O)C1(C)C
InChIInChI=1S/C15H26N6O4/c1-14(2)10(22)18(7-5-16)12(24)20(14)9-21-13(25)19(8-6-17)11(23)15(21,3)4/h5-9,16-17H2,1-4H3
InChIKeyJOPLCGAPAGBJMP-UHFFFAOYSA-N
XLogP-1.05
TPSA133.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 14008502) is 3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(CCN)C(=O)N1CN1C(=O)N(CCN)C(=O)C1(C)C.
What is the InChIKey of 3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is JOPLCGAPAGBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O4/c1-14(2)10(22)18(7-5-16)12(24)20(14)9-21-13(25)19(8-6-17)11(23)15(21,3)4/h5-9,16-17H2,1-4H3.
What are the key properties of 3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 354.41 g/mol, XLogP of -1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-[[3-(2-aminoethyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 14008502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).