1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione

C13H23N3O2 — CID 43636258

IUPAC1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCC2CCCN2CC)C1=O
InChIInChI=1S/C13H23N3O2/c1-3-15-7-5-6-10(15)9-14-11-8-12(17)16(4-2)13(11)18/h10-11,14H,3-9H2,1-2H3
InChIKeyLMNFCBONASBYIK-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.21
Rot. Bonds5

About 1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione

1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione (PubChem CID 43636258) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione
PubChem CID43636258
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(NCC2CCCN2CC)C1=O
InChIInChI=1S/C13H23N3O2/c1-3-15-7-5-6-10(15)9-14-11-8-12(17)16(4-2)13(11)18/h10-11,14H,3-9H2,1-2H3
InChIKeyLMNFCBONASBYIK-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114
1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 43179038
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 93218125
3-[(1-methylpyrrolidin-3-yl)methylamino]-1-propylpyrrolidine-2,5-dione
CID 54926953
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
1-ethyl-3-[(5-methylfuran-2-yl)methylamino]pyrrolidine-2,5-dione
CID 62524032
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine
CID 65071094
cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine
CID 95376229
N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 79725125
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 81302172
(1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 98681847

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione (CID 43636258) is 1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione is CCN1C(=O)CC(NCC2CCCN2CC)C1=O.
What is the InChIKey of 1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is LMNFCBONASBYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-15-7-5-6-10(15)9-14-11-8-12(17)16(4-2)13(11)18/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione?
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 253.35 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43636258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).