1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione

C29H54N2O2 — CID 59263703

IUPAC1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione
SMILESC=C(C)C(C1CC(=O)N(CCCN(C)C)C1=O)C(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C29H54N2O2/c1-21(2)24(22-17-23(32)31(25(22)33)16-14-15-30(12)13)29(10,11)20-28(8,9)19-27(6,7)18-26(3,4)5/h22,24H,1,14-20H2,2-13H3
InChIKeyDUWLKYHYMLJFMZ-UHFFFAOYSA-N
MW462.76 g/mol
LogP6.80
Rot. Bonds12

About 1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione

1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione (PubChem CID 59263703) has the molecular formula C29H54N2O2 and a molecular weight of 462.76 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione
PubChem CID59263703
Molecular FormulaC29H54N2O2
Molecular Weight462.76 g/mol
Exact Mass462.42
IUPAC Name1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione
SMILESC=C(C)C(C1CC(=O)N(CCCN(C)C)C1=O)C(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C29H54N2O2/c1-21(2)24(22-17-23(32)31(25(22)33)16-14-15-30(12)13)29(10,11)20-28(8,9)19-27(6,7)18-26(3,4)5/h22,24H,1,14-20H2,2-13H3
InChIKeyDUWLKYHYMLJFMZ-UHFFFAOYSA-N
XLogP6.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.76
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione (CID 59263703) is 1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione is C=C(C)C(C1CC(=O)N(CCCN(C)C)C1=O)C(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione?
The InChIKey is DUWLKYHYMLJFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54N2O2/c1-21(2)24(22-17-23(32)31(25(22)33)16-14-15-30(12)13)29(10,11)20-28(8,9)19-27(6,7)18-26(3,4)5/h22,24H,1,14-20H2,2-13H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione?
1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione has a molecular weight of 462.76 g/mol, XLogP of 6.80, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(2,4,4,6,6,8,8,10,10-nonamethylundec-1-en-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59263703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).