1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione

C23H51N9O2 — CID 166921466

IUPAC1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione
SMILESCCCNCCNCCNCCNCCNCCNCCNCCNCCN1C(=O)CCC1=O
InChIInChI=1S/C23H51N9O2/c1-2-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22(33)3-4-23(32)34/h24-31H,2-21H2,1H3
InChIKeyAAGAHIUXCMEIQZ-UHFFFAOYSA-N
MW485.72 g/mol
LogP-2.74
Rot. Bonds26

About 1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione

1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione (PubChem CID 166921466) has the molecular formula C23H51N9O2 and a molecular weight of 485.72 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione
PubChem CID166921466
Molecular FormulaC23H51N9O2
Molecular Weight485.72 g/mol
Exact Mass485.42
IUPAC Name1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione
SMILESCCCNCCNCCNCCNCCNCCNCCNCCNCCN1C(=O)CCC1=O
InChIInChI=1S/C23H51N9O2/c1-2-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22(33)3-4-23(32)34/h24-31H,2-21H2,1H3
InChIKeyAAGAHIUXCMEIQZ-UHFFFAOYSA-N
XLogP-2.74
TPSA133.62 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.72
LogP ≤ 5-2.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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 1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione (CID 166921466) is 1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione is CCCNCCNCCNCCNCCNCCNCCNCCNCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione?
The InChIKey is AAGAHIUXCMEIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51N9O2/c1-2-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22(33)3-4-23(32)34/h24-31H,2-21H2,1H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione?
1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione has a molecular weight of 485.72 g/mol, XLogP of -2.74, 26 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 166921466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).