5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione

C14H18N2O2 — CID 62664853

IUPAC5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione
SMILESCCCNCCN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C14H18N2O2/c1-3-6-15-7-8-16-13(17)11-5-4-10(2)9-12(11)14(16)18/h4-5,9,15H,3,6-8H2,1-2H3
InChIKeyJOPCSCZKONLHOX-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.59
Rot. Bonds5

About 5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione

5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione (PubChem CID 62664853) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione
PubChem CID62664853
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione
SMILESCCCNCCN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C14H18N2O2/c1-3-6-15-7-8-16-13(17)11-5-4-10(2)9-12(11)14(16)18/h4-5,9,15H,3,6-8H2,1-2H3
InChIKeyJOPCSCZKONLHOX-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione?
The IUPAC name of 5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione (CID 62664853) is 5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione is CCCNCCN1C(=O)c2ccc(C)cc2C1=O.
What is the InChIKey of 5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione?
The InChIKey is JOPCSCZKONLHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-6-15-7-8-16-13(17)11-5-4-10(2)9-12(11)14(16)18/h4-5,9,15H,3,6-8H2,1-2H3.
What are the key properties of 5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione?
5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione has a molecular weight of 246.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(propylamino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 62664853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).