2-[2-(methylamino)butyl]isoindole-1,3-dione

C13H16N2O2 — CID 55135572

IUPAC2-[2-(methylamino)butyl]isoindole-1,3-dione
SMILESCCC(CN1C(=O)c2ccccc2C1=O)NC
InChIInChI=1S/C13H16N2O2/c1-3-9(14-2)8-15-12(16)10-6-4-5-7-11(10)13(15)17/h4-7,9,14H,3,8H2,1-2H3
InChIKeyFUBAZPXDTKDYGZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.28
Rot. Bonds4

About 2-[2-(methylamino)butyl]isoindole-1,3-dione

2-[2-(methylamino)butyl]isoindole-1,3-dione (PubChem CID 55135572) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[2-(methylamino)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(methylamino)butyl]isoindole-1,3-dione
PubChem CID55135572
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[2-(methylamino)butyl]isoindole-1,3-dione
SMILESCCC(CN1C(=O)c2ccccc2C1=O)NC
InChIInChI=1S/C13H16N2O2/c1-3-9(14-2)8-15-12(16)10-6-4-5-7-11(10)13(15)17/h4-7,9,14H,3,8H2,1-2H3
InChIKeyFUBAZPXDTKDYGZ-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid
CID 150921209
4-[2-(methylamino)butyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 104525289
2-[4-(pentan-3-ylamino)butyl]isoindole-1,3-dione
CID 119158120
1-(1,3-dioxoisoindol-2-yl)butane-2-sulfonyl chloride
CID 170165876
1-[2-(methylamino)butyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 62041220
2-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-ylamino]-2-butoxyacetic acid
CID 23374867
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184
2-(2,3,3-trimethylbutyl)isoindole-1,3-dione
CID 176792858
2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione
CID 10592421
2-[2-[methoxy(methyl)amino]butyl]isoindole-1,3-dione
CID 57160021
2-[2-(propylamino)butyl]-4H-isoquinoline-1,3-dione
CID 62038049
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(methylamino)butyl]isoindole-1,3-dione (CID 55135572) is 2-[2-(methylamino)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(methylamino)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(methylamino)butyl]isoindole-1,3-dione is CCC(CN1C(=O)c2ccccc2C1=O)NC.
What is the InChIKey of 2-[2-(methylamino)butyl]isoindole-1,3-dione?
The InChIKey is FUBAZPXDTKDYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-9(14-2)8-15-12(16)10-6-4-5-7-11(10)13(15)17/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 2-[2-(methylamino)butyl]isoindole-1,3-dione?
2-[2-(methylamino)butyl]isoindole-1,3-dione has a molecular weight of 232.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)butyl]isoindole-1,3-dione is sourced from PubChem (CID 55135572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).