1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione

C12H22N2O2 — CID 63251727

IUPAC1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(CCC(C)N)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-12(5-2)8-10(15)14(11(12)16)7-6-9(3)13/h9H,4-8,13H2,1-3H3
InChIKeyBUPLHSCDBKCQMQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.29
Rot. Bonds5

About 1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione

1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 63251727) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione
PubChem CID63251727
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(CCC(C)N)C1=O
InChIInChI=1S/C12H22N2O2/c1-4-12(5-2)8-10(15)14(11(12)16)7-6-9(3)13/h9H,4-8,13H2,1-3H3
InChIKeyBUPLHSCDBKCQMQ-UHFFFAOYSA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione (CID 63251727) is 1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(CCC(C)N)C1=O.
What is the InChIKey of 1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is BUPLHSCDBKCQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-12(5-2)8-10(15)14(11(12)16)7-6-9(3)13/h9H,4-8,13H2,1-3H3.
What are the key properties of 1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione?
1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutyl)-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 63251727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).