3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

C15H27N3O2 — CID 62990591

IUPAC3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(CNC1CC(=O)N(C(C)C)C1=O)CN1CCCC1
InChIInChI=1S/C15H27N3O2/c1-11(2)18-14(19)8-13(15(18)20)16-9-12(3)10-17-6-4-5-7-17/h11-13,16H,4-10H2,1-3H3
InChIKeyYECYXSRANCCGEW-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.84
Rot. Bonds6

About 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione

3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 62990591) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID62990591
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(CNC1CC(=O)N(C(C)C)C1=O)CN1CCCC1
InChIInChI=1S/C15H27N3O2/c1-11(2)18-14(19)8-13(15(18)20)16-9-12(3)10-17-6-4-5-7-17/h11-13,16H,4-10H2,1-3H3
InChIKeyYECYXSRANCCGEW-UHFFFAOYSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 61473329
1-propan-2-yl-3-(prop-2-ynylamino)pyrrolidine-2,5-dione
CID 43636535
1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
CID 62991310
3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 63822409
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 62976653
3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636059
3-[(4-bromophenyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 60779639
3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide
CID 112697490
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 62990229
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 62994581
3-(1,4-dioxan-2-ylmethylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 54907550
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 113252158

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 62990591) is 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(CNC1CC(=O)N(C(C)C)C1=O)CN1CCCC1.
What is the InChIKey of 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is YECYXSRANCCGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)18-14(19)8-13(15(18)20)16-9-12(3)10-17-6-4-5-7-17/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 62990591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).