1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione

C13H24N2O2 — CID 15532095

IUPAC1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione
SMILESCC(C)CN(CC(C)C)CN1C(=O)CCC1=O
InChIInChI=1S/C13H24N2O2/c1-10(2)7-14(8-11(3)4)9-15-12(16)5-6-13(15)17/h10-11H,5-9H2,1-4H3
InChIKeyIRZXQXDAYAVVRR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.71
Rot. Bonds6

About 1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione

1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione (PubChem CID 15532095) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione
PubChem CID15532095
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione
SMILESCC(C)CN(CC(C)C)CN1C(=O)CCC1=O
InChIInChI=1S/C13H24N2O2/c1-10(2)7-14(8-11(3)4)9-15-12(16)5-6-13(15)17/h10-11H,5-9H2,1-4H3
InChIKeyIRZXQXDAYAVVRR-UHFFFAOYSA-N
XLogP1.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.71
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

Succinimide, N-(4-methyl-1-piperazinylmethyl)-
CID 217171
Succinimide, N-((dimethylamino)methyl)-
CID 217169
1,1'-Ethylidenedi-2-pyrrolidinone
CID 13379697
3-Methyl-1-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
CID 137639835
1-[(4-Methylpiperidin-1-yl)methyl]pyrrolidine-2,5-dione
CID 795211
1-Isobutylpyrrolidine-2,5-dione
CID 236107
1-Carbamoyl-methyl-2-pyrrolidone
CID 19421710
Bissuccinimidoethane
CID 129711359
2-Pyrrolidinone, 1-[(diethylamino)methyl]-
CID 4737447
N-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-methylacetamide
CID 13034093
1,3-Dibutyrylimidazolidine
CID 129727013
Trimethyl(2-oxopyrrolidin-1-ylmethyl)ammonium iodide
CID 3038566

Frequently Asked Questions

What is the IUPAC name of 1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione (CID 15532095) is 1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione is CC(C)CN(CC(C)C)CN1C(=O)CCC1=O.
What is the InChIKey of 1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione?
The InChIKey is IRZXQXDAYAVVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)7-14(8-11(3)4)9-15-12(16)5-6-13(15)17/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione?
1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(2-methylpropyl)amino]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 15532095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).