3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C13H24N4O2 — CID 116652528

IUPAC3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(CCN1C(=O)NC(C)(C)C1=O)C(CN)C1CC1
InChIInChI=1S/C13H24N4O2/c1-13(2)11(18)17(12(19)15-13)7-6-16(3)10(8-14)9-4-5-9/h9-10H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyUHMVMAZCEDLBJA-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.01
Rot. Bonds6

About 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 116652528) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID116652528
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCN(CCN1C(=O)NC(C)(C)C1=O)C(CN)C1CC1
InChIInChI=1S/C13H24N4O2/c1-13(2)11(18)17(12(19)15-13)7-6-16(3)10(8-14)9-4-5-9/h9-10H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyUHMVMAZCEDLBJA-UHFFFAOYSA-N
XLogP-0.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 116652528) is 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CN(CCN1C(=O)NC(C)(C)C1=O)C(CN)C1CC1.
What is the InChIKey of 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is UHMVMAZCEDLBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-13(2)11(18)17(12(19)15-13)7-6-16(3)10(8-14)9-4-5-9/h9-10H,4-8,14H2,1-3H3,(H,15,19).
What are the key properties of 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-amino-1-cyclopropylethyl)-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 116652528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).