4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C23H33N5O5 — CID 167716352

IUPAC4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCCCN(CCO)CCCCNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H33N5O5/c24-9-4-12-27(13-14-29)11-2-1-10-25-15-16-5-3-6-17-20(16)23(33)28(22(17)32)18-7-8-19(30)26-21(18)31/h3,5-6,18,25,29H,1-2,4,7-15,24H2,(H,26,30,31)
InChIKeyNPMXQWXZGUEZMJ-UHFFFAOYSA-N
MW459.55 g/mol
LogP-0.40
Rot. Bonds13

About 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167716352) has the molecular formula C23H33N5O5 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167716352
Molecular FormulaC23H33N5O5
Molecular Weight459.55 g/mol
Exact Mass459.25
IUPAC Name4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCCCN(CCO)CCCCNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H33N5O5/c24-9-4-12-27(13-14-29)11-2-1-10-25-15-16-5-3-6-17-20(16)23(33)28(22(17)32)18-7-8-19(30)26-21(18)31/h3,5-6,18,25,29H,1-2,4,7-15,24H2,(H,26,30,31)
InChIKeyNPMXQWXZGUEZMJ-UHFFFAOYSA-N
XLogP-0.40
TPSA145.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

4-[[3-(2-aminoethoxy)propylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167735926
4-[[2-[2-(2-aminoethoxy)ethoxy]ethylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741043
4-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734587
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-(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
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
4-[[(2-amino-3,3,3-trifluoropropyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741997
2-(2,6-dioxopiperidin-3-yl)-4-[(2-piperidin-2-ylethylamino)methyl]isoindole-1,3-dione
CID 167732427
4-[[(3-amino-2,2-dimethylcyclobutyl)methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167732341
4-[[3-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]propylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736280

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167716352) is 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NCCCN(CCO)CCCCNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is NPMXQWXZGUEZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O5/c24-9-4-12-27(13-14-29)11-2-1-10-25-15-16-5-3-6-17-20(16)23(33)28(22(17)32)18-7-8-19(30)26-21(18)31/h3,5-6,18,25,29H,1-2,4,7-15,24H2,(H,26,30,31).
What are the key properties of 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 459.55 g/mol, XLogP of -0.40, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-aminopropyl(2-hydroxyethyl)amino]butylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167716352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).