2-[7-(dimethylamino)heptyl]isoindole-1,3-dione

C17H24N2O2 — CID 139959528

IUPAC2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
SMILESCN(C)CCCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H24N2O2/c1-18(2)12-8-4-3-5-9-13-19-16(20)14-10-6-7-11-15(14)17(19)21/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3
InChIKeyCPKSTWCAXCHMLJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds8

About 2-[7-(dimethylamino)heptyl]isoindole-1,3-dione

2-[7-(dimethylamino)heptyl]isoindole-1,3-dione (PubChem CID 139959528) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[7-(dimethylamino)heptyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
PubChem CID139959528
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
SMILESCN(C)CCCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H24N2O2/c1-18(2)12-8-4-3-5-9-13-19-16(20)14-10-6-7-11-15(14)17(19)21/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3
InChIKeyCPKSTWCAXCHMLJ-UHFFFAOYSA-N
XLogP2.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
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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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[3-[bis(trideuteriomethyl)amino]propyl]isoindole-1,3-dione
CID 89296361
CID 88976080
CID 88976080
N-[2-(dimethylamino)ethyl]-6-(1,3-dioxoisoindol-2-yl)hexanamide;hydrochloride
CID 126468841
12-[bis[12-(1,3-dioxoisoindol-2-yl)dodecyl]amino]dodecyl-trimethylazanium
CID 118517529
2-[4-[methyl(1-phenylethyl)amino]butyl]isoindole-1,3-dione
CID 18088905
2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-[2-(dioctylamino)ethyl]isoindole-1,3-dione
CID 170273237
1-[7-(dimethylamino)heptyl]-3-methylimidazolidine-2,4,5-trione
CID 101131777

Frequently Asked Questions

What is the IUPAC name of 2-[7-(dimethylamino)heptyl]isoindole-1,3-dione?
The IUPAC name of 2-[7-(dimethylamino)heptyl]isoindole-1,3-dione (CID 139959528) is 2-[7-(dimethylamino)heptyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[7-(dimethylamino)heptyl]isoindole-1,3-dione?
The canonical SMILES for 2-[7-(dimethylamino)heptyl]isoindole-1,3-dione is CN(C)CCCCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[7-(dimethylamino)heptyl]isoindole-1,3-dione?
The InChIKey is CPKSTWCAXCHMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18(2)12-8-4-3-5-9-13-19-16(20)14-10-6-7-11-15(14)17(19)21/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of 2-[7-(dimethylamino)heptyl]isoindole-1,3-dione?
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione has a molecular weight of 288.39 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(dimethylamino)heptyl]isoindole-1,3-dione is sourced from PubChem (CID 139959528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).