1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione

C19H36N2O2 — CID 90129516

IUPAC1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione
SMILESCN(C)CCCCCN1C(=O)CC(CC(C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C19H36N2O2/c1-18(2,3)19(4,5)14-15-13-16(22)21(17(15)23)12-10-8-9-11-20(6)7/h15H,8-14H2,1-7H3
InChIKeyGSAUYQYVIOJPIA-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.56
Rot. Bonds8

About 1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione

1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione (PubChem CID 90129516) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione
PubChem CID90129516
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione
SMILESCN(C)CCCCCN1C(=O)CC(CC(C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C19H36N2O2/c1-18(2,3)19(4,5)14-15-13-16(22)21(17(15)23)12-10-8-9-11-20(6)7/h15H,8-14H2,1-7H3
InChIKeyGSAUYQYVIOJPIA-UHFFFAOYSA-N
XLogP3.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione (CID 90129516) is 1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione is CN(C)CCCCCN1C(=O)CC(CC(C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione?
The InChIKey is GSAUYQYVIOJPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-18(2,3)19(4,5)14-15-13-16(22)21(17(15)23)12-10-8-9-11-20(6)7/h15H,8-14H2,1-7H3.
What are the key properties of 1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione?
1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione has a molecular weight of 324.51 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)pentyl]-3-(2,2,3,3-tetramethylbutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 90129516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).