2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione

C17H24N2O2 — CID 119158120

IUPAC2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione
SMILESCCC(CC)NCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H24N2O2/c1-3-13(4-2)18-11-7-8-12-19-16(20)14-9-5-6-10-15(14)17(19)21/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3
InChIKeyGYYFZZHGVNOGHO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.84
Rot. Bonds8

About 2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione

2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione (PubChem CID 119158120) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione
PubChem CID119158120
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione
SMILESCCC(CC)NCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H24N2O2/c1-3-13(4-2)18-11-7-8-12-19-16(20)14-9-5-6-10-15(14)17(19)21/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3
InChIKeyGYYFZZHGVNOGHO-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
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

(2S,3S)-2-[4-(1,3-dioxoisoindol-2-yl)butylamino]-3-methylpentanoic acid
CID 122099912
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[4-[(2-methyl-1-phenylpropyl)amino]butyl]isoindole-1,3-dione
CID 24626994
2-[4-(1-methoxypropan-2-ylamino)butyl]isoindole-1,3-dione
CID 119159724
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
2-[4-(aminomethylamino)butyl]isoindole-1,3-dione
CID 70994742
2-[(4R)-4-bromohexyl]isoindole-1,3-dione
CID 129405384
2-[3-[1-(2-methylphenyl)ethylamino]propyl]isoindole-1,3-dione
CID 112801132
2-(4-dimethylphosphorylbutyl)isoindole-1,3-dione
CID 10084995
2-[2-(methylamino)butyl]isoindole-1,3-dione
CID 55135572
2-(7-propylsulfanylheptyl)isoindole-1,3-dione
CID 139959295
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione (CID 119158120) is 2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione is CCC(CC)NCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione?
The InChIKey is GYYFZZHGVNOGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-13(4-2)18-11-7-8-12-19-16(20)14-9-5-6-10-15(14)17(19)21/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione?
2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione has a molecular weight of 288.39 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione is sourced from PubChem (CID 119158120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).