4-(methylamino)-2-pentylisoindole-1,3-dione

C14H18N2O2 — CID 117006093

IUPAC4-(methylamino)-2-pentylisoindole-1,3-dione
SMILESCCCCCN1C(=O)c2cccc(NC)c2C1=O
InChIInChI=1S/C14H18N2O2/c1-3-4-5-9-16-13(17)10-7-6-8-11(15-2)12(10)14(16)18/h6-8,15H,3-5,9H2,1-2H3
InChIKeyRDWHQQIIMGMHDT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.51
Rot. Bonds5

About 4-(methylamino)-2-pentylisoindole-1,3-dione

4-(methylamino)-2-pentylisoindole-1,3-dione (PubChem CID 117006093) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(methylamino)-2-pentylisoindole-1,3-dione.

Molecular Properties

Compound Name4-(methylamino)-2-pentylisoindole-1,3-dione
PubChem CID117006093
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(methylamino)-2-pentylisoindole-1,3-dione
SMILESCCCCCN1C(=O)c2cccc(NC)c2C1=O
InChIInChI=1S/C14H18N2O2/c1-3-4-5-9-16-13(17)10-7-6-8-11(15-2)12(10)14(16)18/h6-8,15H,3-5,9H2,1-2H3
InChIKeyRDWHQQIIMGMHDT-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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

2-dodecyl-4-phenylisoindole-1,3-dione
CID 70429574
6-(2-hydroxyethylamino)-2-octylbenzo[de]isoquinoline-1,3-dione
CID 44787344
2,3-dibromo-6,13-dipentyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
CID 44549418
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
N-butyl-3-(4-chloro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202097
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
1-[4-(1,3-dioxoisoindol-2-yl)butyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111827954
5-(1,3-dioxo-2-pentylbenzo[de]isoquinolin-6-yl)-16-pentyl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione
CID 102021514
N-(2-butyl-1,3-dioxobenzo[e]isoindol-5-yl)acetamide
CID 68522707
2-butyl-5-(methylamino)isoindole-1,3-dione
CID 117006264
4-nitro-2-[4-(4-nitro-1,3-dioxoisoindol-2-yl)butyl]isoindole-1,3-dione
CID 3100255

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-pentylisoindole-1,3-dione?
The IUPAC name of 4-(methylamino)-2-pentylisoindole-1,3-dione (CID 117006093) is 4-(methylamino)-2-pentylisoindole-1,3-dione.
What is the SMILES notation for 4-(methylamino)-2-pentylisoindole-1,3-dione?
The canonical SMILES for 4-(methylamino)-2-pentylisoindole-1,3-dione is CCCCCN1C(=O)c2cccc(NC)c2C1=O.
What is the InChIKey of 4-(methylamino)-2-pentylisoindole-1,3-dione?
The InChIKey is RDWHQQIIMGMHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-5-9-16-13(17)10-7-6-8-11(15-2)12(10)14(16)18/h6-8,15H,3-5,9H2,1-2H3.
What are the key properties of 4-(methylamino)-2-pentylisoindole-1,3-dione?
4-(methylamino)-2-pentylisoindole-1,3-dione has a molecular weight of 246.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-pentylisoindole-1,3-dione is sourced from PubChem (CID 117006093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).