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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Related Compounds

1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione
CID 115306372
(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 166506249
1-(2-amino-2-ethylbutyl)-3,3-diethylpyrrolidine-2,5-dione
CID 113283325
1-[3-(ethylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181533
1-hexadecyl-3,4-dimethylpyrrolidine-2,5-dione
CID 58800399
3-(2-amino-2-methylpropyl)-5-methylimidazolidine-2,4-dione
CID 82406192
1-[(2-amino-1,3-thiazol-5-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79774376
ethyl (E)-4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)but-2-enoate
CID 80546228
2-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-2-ethylbutanoic acid
CID 115430006
(6S,7R)-4-[6-[(3S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]hexa-2,4-diynyl]-9-[6-[9-[6-[(6S,7R)-9-[6-[(3S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]hexa-2,4-diynyl]-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]hexa-2,4-diynyl]-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]hexa-2,4-diynyl]-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
CID 135030824
2-(2-amino-2-ethylbutyl)-1,2-benzothiazol-3-one
CID 115306386
3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
CID 79813474

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).