2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol

C30H62N4O6 — CID 88917828

About 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol

2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 88917828) has the molecular formula C30H62N4O6 and a molecular weight of 574.85 g/mol. Its IUPAC name is 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

• Compound Name: 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol
• PubChem CID: 88917828
• Molecular Formula: C30H62N4O6
• Molecular Weight: 574.85 g/mol
• Exact Mass: 574.47
• IUPAC Name: 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol
• SMILES: CC/C=C\CN(CCCN(CCO)CCO)CCOCCOCCN(C/C=C\CC)CCCN(CCO)CCO
• InChI: InChI=1S/C30H62N4O6/c1-3-5-7-11-31(13-9-15-33(17-23-35)18-24-36)21-27-39-29-30-40-28-22-32(12-8-6-4-2)14-10-16-34(19-25-37)20-26-38/h5-8,35-38H,3-4,9-30H2,1-2H3/b7-5-,8-6-
• InChIKey: KUKBCWFWSGVHKI-SFECMWDFSA-N
• XLogP: 0.91
• TPSA: 112.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.85
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol?

The IUPAC name of 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol (CID 88917828) is 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol.

What is the SMILES notation for 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol?

The canonical SMILES for 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol is CC/C=C\CN(CCCN(CCO)CCO)CCOCCOCCN(C/C=C\CC)CCCN(CCO)CCO.

What is the InChIKey of 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol?

The InChIKey is KUKBCWFWSGVHKI-SFECMWDFSA-N. The full InChI is InChI=1S/C30H62N4O6/c1-3-5-7-11-31(13-9-15-33(17-23-35)18-24-36)21-27-39-29-30-40-28-22-32(12-8-6-4-2)14-10-16-34(19-25-37)20-26-38/h5-8,35-38H,3-4,9-30H2,1-2H3/b7-5-,8-6-.

What are the key properties of 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol?

2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 574.85 g/mol, XLogP of 0.91, 31 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[2-[2-[3-[bis(2-hydroxyethyl)amino]propyl-[(Z)-pent-2-enyl]amino]ethoxy]ethoxy]ethyl-[(Z)-pent-2-enyl]amino]propyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 88917828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).