5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium

C19H29N2O2+ — CID 26723330

IUPAC5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium
SMILESCC[N+](CC)(CC)CCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H29N2O2/c1-4-21(5-2,6-3)15-11-7-10-14-20-18(22)16-12-8-9-13-17(16)19(20)23/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3/q+1
InChIKeyYGWRVPAUJDAOHJ-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.33
Rot. Bonds9

About 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium

5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium (PubChem CID 26723330) has the molecular formula C19H29N2O2+ and a molecular weight of 317.45 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium.

Molecular Properties

Compound Name5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium
PubChem CID26723330
Molecular FormulaC19H29N2O2+
Molecular Weight317.45 g/mol
Exact Mass317.22
IUPAC Name5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium
SMILESCC[N+](CC)(CC)CCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H29N2O2/c1-4-21(5-2,6-3)15-11-7-10-14-20-18(22)16-12-8-9-13-17(16)19(20)23/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3/q+1
InChIKeyYGWRVPAUJDAOHJ-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium 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-(1,3-dioxoisoindol-2-yl)propyl-dimethyl-[6-(triethylazaniumyl)hexyl]azanium dibromide
CID 10099667
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
4-(1,3-dioxoisoindol-2-yl)butyl-tris[3-(1,3-dioxoisoindol-2-yl)propyl]azanium iodide
CID 10102249
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-(1,3-dioxoisoindol-2-yl)propyl-hexadecyl-dimethylazanium
CID 19834288
3-(1,3-dioxoisoindol-2-yl)propyl-[4-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]butyl]-dimethylazanium
CID 10770828
2-(7-propylsulfanylheptyl)isoindole-1,3-dione
CID 139959295
3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684
12-[bis[12-(1,3-dioxoisoindol-2-yl)dodecyl]amino]dodecyl-trimethylazanium
CID 118517529
CID 88976080
CID 88976080
(1,3-dioxoisoindol-2-yl)methyl-triethylazanium;hydrobromide
CID 126959212

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium?
The IUPAC name of 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium (CID 26723330) is 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium.
What is the SMILES notation for 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium?
The canonical SMILES for 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium is CC[N+](CC)(CC)CCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium?
The InChIKey is YGWRVPAUJDAOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N2O2/c1-4-21(5-2,6-3)15-11-7-10-14-20-18(22)16-12-8-9-13-17(16)19(20)23/h8-9,12-13H,4-7,10-11,14-15H2,1-3H3/q+1.
What are the key properties of 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium?
5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium has a molecular weight of 317.45 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium is sourced from PubChem (CID 26723330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).