3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione

C13H23N3O2 — CID 62976653

IUPAC3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCCN(C)C2CC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-9(2)16-12(17)8-11(13(16)18)14-6-7-15(3)10-4-5-10/h9-11,14H,4-8H2,1-3H3
InChIKeyARRGJLDYOUYAAX-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.21
Rot. Bonds6

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

3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 62976653) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID62976653
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCCN(C)C2CC2)C1=O
InChIInChI=1S/C13H23N3O2/c1-9(2)16-12(17)8-11(13(16)18)14-6-7-15(3)10-4-5-10/h9-11,14H,4-8H2,1-3H3
InChIKeyARRGJLDYOUYAAX-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 62976653) is 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(NCCN(C)C2CC2)C1=O.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is ARRGJLDYOUYAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)16-12(17)8-11(13(16)18)14-6-7-15(3)10-4-5-10/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 253.35 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 62976653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).