4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride

C19H24ClN3O5 — CID 134812847

IUPAC4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
SMILESCl.NCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H23N3O5.ClH/c20-10-3-1-2-4-11-27-14-7-5-6-12-16(14)19(26)22(18(12)25)13-8-9-15(23)21-17(13)24;/h5-7,13H,1-4,8-11,20H2,(H,21,23,24);1H
InChIKeyHYHUBACBCPALHK-UHFFFAOYSA-N
MW409.87 g/mol
LogP1.41
Rot. Bonds8

About 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride

4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride (PubChem CID 134812847) has the molecular formula C19H24ClN3O5 and a molecular weight of 409.87 g/mol. Its IUPAC name is 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
PubChem CID134812847
Molecular FormulaC19H24ClN3O5
Molecular Weight409.87 g/mol
Exact Mass409.14
IUPAC Name4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
SMILESCl.NCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C19H23N3O5.ClH/c20-10-3-1-2-4-11-27-14-7-5-6-12-16(14)19(26)22(18(12)25)13-8-9-15(23)21-17(13)24;/h5-7,13H,1-4,8-11,20H2,(H,21,23,24);1H
InChIKeyHYHUBACBCPALHK-UHFFFAOYSA-N
XLogP1.41
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?
The IUPAC name of 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride (CID 134812847) is 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride is Cl.NCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?
The InChIKey is HYHUBACBCPALHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5.ClH/c20-10-3-1-2-4-11-27-14-7-5-6-12-16(14)19(26)22(18(12)25)13-8-9-15(23)21-17(13)24;/h5-7,13H,1-4,8-11,20H2,(H,21,23,24);1H.
What are the key properties of 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride?
4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride has a molecular weight of 409.87 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminohexoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 134812847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).