1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione

C14H26N2O2 — CID 130369576

IUPAC1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione
SMILESCCCC(C)C1CC(=O)N(CCCN(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-5-7-11(2)12-10-13(17)16(14(12)18)9-6-8-15(3)4/h11-12H,5-10H2,1-4H3
InChIKeyLLGMODGVXPKTSV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.75
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione

1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione (PubChem CID 130369576) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione
PubChem CID130369576
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione
SMILESCCCC(C)C1CC(=O)N(CCCN(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-5-7-11(2)12-10-13(17)16(14(12)18)9-6-8-15(3)4/h11-12H,5-10H2,1-4H3
InChIKeyLLGMODGVXPKTSV-UHFFFAOYSA-N
XLogP1.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2-propan-2-ylhexanal
CID 140661114
3-pentan-2-yl-1-phenylpyrrolidine-2,5-dione
CID 122494983
1-[(6R)-7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 130232703
3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione
CID 147895456
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione
CID 167599335
1-[5-[(3S)-3-methylpyrrolidin-1-yl]-5-oxopentyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 134403407
1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione
CID 90129516
1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 168900055
1-[3-(dimethylamino)propyl]-azacyclononadecane-2,19-dione
CID 142676515
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione (CID 130369576) is 1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione is CCCC(C)C1CC(=O)N(CCCN(C)C)C1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione?
The InChIKey is LLGMODGVXPKTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-7-11(2)12-10-13(17)16(14(12)18)9-6-8-15(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione?
1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-pentan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 130369576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).