5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione

C23H29N3O2 — CID 59230472

IUPAC5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione
SMILESCCC(C)c1ccc(N2C(=O)c3ccc(NCCCCCN)cc3C2=O)cc1
InChIInChI=1S/C23H29N3O2/c1-3-16(2)17-7-10-19(11-8-17)26-22(27)20-12-9-18(15-21(20)23(26)28)25-14-6-4-5-13-24/h7-12,15-16,25H,3-6,13-14,24H2,1-2H3
InChIKeyRWKGCHGTOILAEM-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.54
Rot. Bonds9

About 5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione

5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione (PubChem CID 59230472) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione
PubChem CID59230472
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione
SMILESCCC(C)c1ccc(N2C(=O)c3ccc(NCCCCCN)cc3C2=O)cc1
InChIInChI=1S/C23H29N3O2/c1-3-16(2)17-7-10-19(11-8-17)26-22(27)20-12-9-18(15-21(20)23(26)28)25-14-6-4-5-13-24/h7-12,15-16,25H,3-6,13-14,24H2,1-2H3
InChIKeyRWKGCHGTOILAEM-UHFFFAOYSA-N
XLogP4.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
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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Related Compounds

2-[4-(5-aminopentylamino)phenyl]-5-chloroisoindole-1,3-dione
CID 70840125
N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629318
5-(heptylamino)-2-methylisoindole-1,3-dione
CID 14911571
N'-(4-propan-2-ylphenyl)hexane-1,6-diamine
CID 83952205
5-(butylamino)-2-methylisoindole-1,3-dione
CID 14911570
5-(8-aminooctylamino)-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione
CID 161470371
N-(4-butan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206213
5-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138562610
5-(14-aminotetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169450048
5-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162482502
N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide
CID 59230593
5-butan-2-yl-2-pyridin-2-ylisoindole-1,3-dione
CID 144569853

Frequently Asked Questions

What is the IUPAC name of 5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione (CID 59230472) is 5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione is CCC(C)c1ccc(N2C(=O)c3ccc(NCCCCCN)cc3C2=O)cc1.
What is the InChIKey of 5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione?
The InChIKey is RWKGCHGTOILAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-16(2)17-7-10-19(11-8-17)26-22(27)20-12-9-18(15-21(20)23(26)28)25-14-6-4-5-13-24/h7-12,15-16,25H,3-6,13-14,24H2,1-2H3.
What are the key properties of 5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione?
5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione has a molecular weight of 379.50 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminopentylamino)-2-(4-butan-2-ylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 59230472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).