1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione

C99H164N18O20 — CID 157339094

About 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione

1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione (PubChem CID 157339094) has the molecular formula C99H164N18O20 and a molecular weight of 1926.51 g/mol. Its IUPAC name is 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione
• PubChem CID: 157339094
• Molecular Formula: C99H164N18O20
• Molecular Weight: 1926.51 g/mol
• Exact Mass: 1925.24
• IUPAC Name: 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione
• SMILES: CC1CC(=O)N(CCCCCN(CCN)CCN2C(=O)CC(C)C2=O)C1=O.CC1CC(=O)N(CCCCCN(CCN2C(=O)CC(C)C2=O)CCN2C(=O)CC(C)C2=O)C1=O.CC1CC(=O)N(CCCCCN2CCN(CCN3C(=O)CC(C)C3=O)CC2)C1=O.CC1CC(=O)N(CCCCCNCCCCCN)C1=O.CC1CC(=O)N(CCCCCNCCCCCN2C(=O)CC(C)C2=O)C1=O
• InChI: InChI=1S/C24H36N4O6.C21H34N4O4.C20H33N3O4.C19H32N4O4.C15H29N3O2/c1-16-13-19(29)26(22(16)32)8-6-4-5-7-25(9-11-27-20(30)14-17(2)23(27)33)10-12-28-21(31)15-18(3)24(28)34;1-16-14-18(26)24(20(16)28)7-5-3-4-6-22-8-10-23(11-9-22)12-13-25-19(27)15-17(2)21(25)29;1-15-13-17(24)22(19(15)26)11-7-3-5-9-21-10-6-4-8-12-23-18(25)14-16(2)20(23)27;1-14-12-16(24)22(18(14)26)8-5-3-4-7-21(9-6-20)10-11-23-17(25)13-15(2)19(23)27;1-13-12-14(19)18(15(13)20)11-7-3-6-10-17-9-5-2-4-8-16/h16-18H,4-15H2,1-3H3;16-17H,3-15H2,1-2H3;15-16,21H,3-14H2,1-2H3;14-15H,3-13,20H2,1-2H3;13,17H,2-12,16H2,1H3
• InChIKey: BGEMOBYQNGGZOO-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 462.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 55
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1926.51
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione (CID 157339094) is 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione is CC1CC(=O)N(CCCCCN(CCN)CCN2C(=O)CC(C)C2=O)C1=O.CC1CC(=O)N(CCCCCN(CCN2C(=O)CC(C)C2=O)CCN2C(=O)CC(C)C2=O)C1=O.CC1CC(=O)N(CCCCCN2CCN(CCN3C(=O)CC(C)C3=O)CC2)C1=O.CC1CC(=O)N(CCCCCNCCCCCN)C1=O.CC1CC(=O)N(CCCCCNCCCCCN2C(=O)CC(C)C2=O)C1=O.

What is the InChIKey of 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione?

The InChIKey is BGEMOBYQNGGZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O6.C21H34N4O4.C20H33N3O4.C19H32N4O4.C15H29N3O2/c1-16-13-19(29)26(22(16)32)8-6-4-5-7-25(9-11-27-20(30)14-17(2)23(27)33)10-12-28-21(31)15-18(3)24(28)34;1-16-14-18(26)24(20(16)28)7-5-3-4-6-22-8-10-23(11-9-22)12-13-25-19(27)15-17(2)21(25)29;1-15-13-17(24)22(19(15)26)11-7-3-5-9-21-10-6-4-8-12-23-18(25)14-16(2)20(23)27;1-14-12-16(24)22(18(14)26)8-5-3-4-7-21(9-6-20)10-11-23-17(25)13-15(2)19(23)27;1-13-12-14(19)18(15(13)20)11-7-3-6-10-17-9-5-2-4-8-16/h16-18H,4-15H2,1-3H3;16-17H,3-15H2,1-2H3;15-16,21H,3-14H2,1-2H3;14-15H,3-13,20H2,1-2H3;13,17H,2-12,16H2,1H3.

What are the key properties of 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione?

1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione has a molecular weight of 1926.51 g/mol, XLogP of 4.39, 55 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-aminoethyl-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-(5-aminopentylamino)pentyl]-3-methylpyrrolidine-2,5-dione;1-[5-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]pentyl]-3-methylpyrrolidine-2,5-dione;3-methyl-1-[5-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pentyl]pyrrolidine-2,5-dione;3-methyl-1-[5-[5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentylamino]pentyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 157339094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).