1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione

C12H22N2O2 — CID 103501096

IUPAC1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCCC(N)(CC)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-12(13,6-2)7-14-10(15)8(3)9(4)11(14)16/h8-9H,5-7,13H2,1-4H3
InChIKeyRZTSZXGLHNIFAU-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.14
Rot. Bonds4

About 1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione

1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 103501096) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID103501096
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCCC(N)(CC)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-5-12(13,6-2)7-14-10(15)8(3)9(4)11(14)16/h8-9H,5-7,13H2,1-4H3
InChIKeyRZTSZXGLHNIFAU-UHFFFAOYSA-N
XLogP1.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 103501096) is 1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione is CCC(N)(CC)CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is RZTSZXGLHNIFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-12(13,6-2)7-14-10(15)8(3)9(4)11(14)16/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103501096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).