5-(butylamino)-2-methylisoindole-1,3-dione

C13H16N2O2 — CID 14911570

IUPAC5-(butylamino)-2-methylisoindole-1,3-dione
SMILESCCCCNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C13H16N2O2/c1-3-4-7-14-9-5-6-10-11(8-9)13(17)15(2)12(10)16/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyDUNQUQCSEOSQDK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.12
Rot. Bonds4

About 5-(butylamino)-2-methylisoindole-1,3-dione

5-(butylamino)-2-methylisoindole-1,3-dione (PubChem CID 14911570) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(butylamino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(butylamino)-2-methylisoindole-1,3-dione
PubChem CID14911570
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(butylamino)-2-methylisoindole-1,3-dione
SMILESCCCCNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C13H16N2O2/c1-3-4-7-14-9-5-6-10-11(8-9)13(17)15(2)12(10)16/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyDUNQUQCSEOSQDK-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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

5-(heptylamino)-2-methylisoindole-1,3-dione
CID 14911571
5-(3-ethoxypropylamino)-2-methylisoindole-1,3-dione
CID 65176586
2-methyl-5-(4,4,4-trifluorobutylamino)isoindole-1,3-dione
CID 115513437
5-(3-methoxypropylamino)-2-methylisoindole-1,3-dione
CID 54936023
2-methyl-5-(2-propylsulfonylethylamino)isoindole-1,3-dione
CID 106722966
N'-hydroxy-4-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]butanimidamide
CID 77026815
N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide
CID 103604422
N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
CID 60961200
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
CID 28897269
2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione
CID 66045442
2-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]isoindole-1,3-dione
CID 61492358
2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione
CID 10755204

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(butylamino)-2-methylisoindole-1,3-dione (CID 14911570) is 5-(butylamino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(butylamino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(butylamino)-2-methylisoindole-1,3-dione is CCCCNc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 5-(butylamino)-2-methylisoindole-1,3-dione?
The InChIKey is DUNQUQCSEOSQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-4-7-14-9-5-6-10-11(8-9)13(17)15(2)12(10)16/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of 5-(butylamino)-2-methylisoindole-1,3-dione?
5-(butylamino)-2-methylisoindole-1,3-dione has a molecular weight of 232.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 14911570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).