3-(6-aminohexyl)pyrrolidine-2,5-dione

C10H18N2O2 — CID 18008340

IUPAC3-(6-aminohexyl)pyrrolidine-2,5-dione
SMILESNCCCCCCC1CC(=O)NC1=O
InChIInChI=1S/C10H18N2O2/c11-6-4-2-1-3-5-8-7-9(13)12-10(8)14/h8H,1-7,11H2,(H,12,13,14)
InChIKeyUBCICHVMKHRPMU-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.56
Rot. Bonds6

About 3-(6-aminohexyl)pyrrolidine-2,5-dione

3-(6-aminohexyl)pyrrolidine-2,5-dione (PubChem CID 18008340) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(6-aminohexyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-aminohexyl)pyrrolidine-2,5-dione
PubChem CID18008340
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-(6-aminohexyl)pyrrolidine-2,5-dione
SMILESNCCCCCCC1CC(=O)NC1=O
InChIInChI=1S/C10H18N2O2/c11-6-4-2-1-3-5-8-7-9(13)12-10(8)14/h8H,1-7,11H2,(H,12,13,14)
InChIKeyUBCICHVMKHRPMU-UHFFFAOYSA-N
XLogP0.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-aminohexyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Dodecylpyrrolidin-2-one
CID 21881336
4-Cyclohexylpyrrolidin-2-one
CID 17922682
3-Octylpyrrolidin-2-one
CID 3089262
3-Dodecylpyrrolidine-2,5-dione
CID 13880212
Decylsuccinimide
CID 12539697
3-Cyclohexylsuccinimide
CID 12931268
3-Butylpyrrolidine-2,5-dione
CID 14694508
Lysyl succinimide
CID 129822223
2-cyclopentyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide
CID 72014686
2,5-Pyrrolidinedione, 3-hexyl-
CID 14694511
3-Cyclopentylpyrrolidine-2,5-dione
CID 14918416
3-Octadecylpyrrolidine-2,5-dione
CID 18183895

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminohexyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(6-aminohexyl)pyrrolidine-2,5-dione (CID 18008340) is 3-(6-aminohexyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-aminohexyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-aminohexyl)pyrrolidine-2,5-dione is NCCCCCCC1CC(=O)NC1=O.
What is the InChIKey of 3-(6-aminohexyl)pyrrolidine-2,5-dione?
The InChIKey is UBCICHVMKHRPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-6-4-2-1-3-5-8-7-9(13)12-10(8)14/h8H,1-7,11H2,(H,12,13,14).
What are the key properties of 3-(6-aminohexyl)pyrrolidine-2,5-dione?
3-(6-aminohexyl)pyrrolidine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminohexyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 18008340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).