5-amino-2-decylisoindole-1,3-dione

C18H26N2O2 — CID 132514130

IUPAC5-amino-2-decylisoindole-1,3-dione
SMILESCCCCCCCCCCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-12-20-17(21)15-11-10-14(19)13-16(15)18(20)22/h10-11,13H,2-9,12,19H2,1H3
InChIKeyQHOIGYVOEZHSJP-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.01
Rot. Bonds9

About 5-amino-2-decylisoindole-1,3-dione

5-amino-2-decylisoindole-1,3-dione (PubChem CID 132514130) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-amino-2-decylisoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-2-decylisoindole-1,3-dione
PubChem CID132514130
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name5-amino-2-decylisoindole-1,3-dione
SMILESCCCCCCCCCCN1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-12-20-17(21)15-11-10-14(19)13-16(15)18(20)22/h10-11,13H,2-9,12,19H2,1H3
InChIKeyQHOIGYVOEZHSJP-UHFFFAOYSA-N
XLogP4.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-dodecylisoindole-1,3-dione
CID 100925036
5-[4-(1,3-dioxo-2-undecylisoindol-5-yl)phenyl]-2-undecylisoindole-1,3-dione
CID 100956240
5-fluoro-2-nonylisoindole-1,3-dione
CID 3089281
2-dodecyl-5-fluoroisoindole-1,3-dione
CID 3089285
5-amino-2-(2-aminoethyl)isoindole-1,3-dione
CID 82506823
5-nitro-2-nonylisoindole-1,3-dione
CID 3089282
2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 59475379
N-(5-amino-2-methylphenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 120568324
5-[5-[5-(1,3-dioxo-2-pentylisoindol-5-yl)thiophen-2-yl]thiophen-2-yl]-2-pentylisoindole-1,3-dione
CID 132566520
2,5-bis(2-octyl-1,3-dioxoisoindol-5-yl)benzene-1,4-dicarbonitrile
CID 101466482
11,30-dihexyl-11,30-diazatridecacyclo[22.14.2.22,5.26,9.225,28.03,20.04,17.07,16.08,13.021,39.026,35.027,32.036,40]hexatetraconta-1(39),2,4,6,8,13,15,17,19,21,23,25(42),26(35),27(32),28(41),33,36(40),37,43,45-icosaene-10,12,29,31-tetrone
CID 101445919
7,22-dihexyl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(31),2,4,9,11,13,15,17(34),18(27),19(24),20(33),25,28(32),29,35-pentadecaene-6,8,21,23-tetrone
CID 101144513

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-decylisoindole-1,3-dione?
The IUPAC name of 5-amino-2-decylisoindole-1,3-dione (CID 132514130) is 5-amino-2-decylisoindole-1,3-dione.
What is the SMILES notation for 5-amino-2-decylisoindole-1,3-dione?
The canonical SMILES for 5-amino-2-decylisoindole-1,3-dione is CCCCCCCCCCN1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 5-amino-2-decylisoindole-1,3-dione?
The InChIKey is QHOIGYVOEZHSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-12-20-17(21)15-11-10-14(19)13-16(15)18(20)22/h10-11,13H,2-9,12,19H2,1H3.
What are the key properties of 5-amino-2-decylisoindole-1,3-dione?
5-amino-2-decylisoindole-1,3-dione has a molecular weight of 302.42 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-decylisoindole-1,3-dione is sourced from PubChem (CID 132514130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).