3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione

C14H27N3O2 — CID 43637991

IUPAC3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCCCN(C)C)C1=O
InChIInChI=1S/C14H27N3O2/c1-5-11(6-2)17-13(18)10-12(14(17)19)15-8-7-9-16(3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyVSUUFCAOOYQUHF-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.84
Rot. Bonds8

About 3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione

3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione (PubChem CID 43637991) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
PubChem CID43637991
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
SMILESCCC(CC)N1C(=O)CC(NCCCN(C)C)C1=O
InChIInChI=1S/C14H27N3O2/c1-5-11(6-2)17-13(18)10-12(14(17)19)15-8-7-9-16(3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyVSUUFCAOOYQUHF-UHFFFAOYSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione (CID 43637991) is 3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione is CCC(CC)N1C(=O)CC(NCCCN(C)C)C1=O.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
The InChIKey is VSUUFCAOOYQUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-11(6-2)17-13(18)10-12(14(17)19)15-8-7-9-16(3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione?
3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione has a molecular weight of 269.39 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]-1-pentan-3-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43637991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).