4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C20H26N4O4 — CID 167723768

IUPAC4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCCCCC(CN)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H26N4O4/c1-2-3-6-13(10-21)22-11-12-5-4-7-14-17(12)20(28)24(19(14)27)15-8-9-16(25)23-18(15)26/h4-5,7,13,15,22H,2-3,6,8-11,21H2,1H3,(H,23,25,26)
InChIKeyGDHGFGRXBDHNCB-UHFFFAOYSA-N
MW386.45 g/mol
LogP0.69
Rot. Bonds8

About 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167723768) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167723768
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCCCCC(CN)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H26N4O4/c1-2-3-6-13(10-21)22-11-12-5-4-7-14-17(12)20(28)24(19(14)27)15-8-9-16(25)23-18(15)26/h4-5,7,13,15,22H,2-3,6,8-11,21H2,1H3,(H,23,25,26)
InChIKeyGDHGFGRXBDHNCB-UHFFFAOYSA-N
XLogP0.69
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

4-[[[(2S)-1-amino-3-hydroxypropan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742462
4-[(4-aminoheptylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716843
4-[[[(1R)-2-amino-1-cyclohexylethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741064
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
2-(2,6-dioxopiperidin-3-yl)-4-[[[1-(methylamino)-3-phenylpropan-2-yl]amino]methyl]isoindole-1,3-dione
CID 167723133
2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
CID 158773174
4-[[3-(2-aminoethoxy)propylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167735926
2-(2,6-dioxopiperidin-3-yl)-4-[[[(1R)-3-(methylamino)-1-thiophen-2-ylpropyl]amino]methyl]isoindole-1,3-dione
CID 167716289
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[(2R)-pyrrolidin-2-yl]ethylamino]methyl]isoindole-1,3-dione
CID 167734548
4-(11-aminoundecyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 160780057
4-[[[(Z)-4-aminobut-2-enyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724884
4-[[4-[(1S)-1-aminoethyl]anilino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742268

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167723768) is 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CCCCC(CN)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is GDHGFGRXBDHNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-2-3-6-13(10-21)22-11-12-5-4-7-14-17(12)20(28)24(19(14)27)15-8-9-16(25)23-18(15)26/h4-5,7,13,15,22H,2-3,6,8-11,21H2,1H3,(H,23,25,26).
What are the key properties of 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 386.45 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminohexan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167723768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).