1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol

C33H77N5O12Si2 — CID 88536003

About 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol

1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol (PubChem CID 88536003) has the molecular formula C33H77N5O12Si2 and a molecular weight of 792.17 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
• PubChem CID: 88536003
• Molecular Formula: C33H77N5O12Si2
• Molecular Weight: 792.17 g/mol
• Exact Mass: 791.51
• IUPAC Name: 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
• SMILES: CO[Si](CCCOCC(O)CNCCN(CCN(CCNCCN)CC(O)COC(C)(C)C)CC(O)COCCC[Si](OC)(OC)OC)(OC)OC
• InChI: InChI=1S/C33H77N5O12Si2/c1-33(2,3)50-29-32(41)26-37(16-14-35-13-12-34)18-19-38(25-31(40)28-49-21-11-23-52(45-7,46-8)47-9)17-15-36-24-30(39)27-48-20-10-22-51(42-4,43-5)44-6/h30-32,35-36,39-41H,10-29,34H2,1-9H3
• InChIKey: BYDFUWOWLAXBRU-UHFFFAOYSA-N
• XLogP: -0.80
• TPSA: 200.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	792.17
LogP ≤ 5	-0.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol?

The IUPAC name of 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol (CID 88536003) is 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol.

What is the SMILES notation for 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol?

The canonical SMILES for 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol is CO[Si](CCCOCC(O)CNCCN(CCN(CCNCCN)CC(O)COC(C)(C)C)CC(O)COCCC[Si](OC)(OC)OC)(OC)OC.

What is the InChIKey of 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol?

The InChIKey is BYDFUWOWLAXBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H77N5O12Si2/c1-33(2,3)50-29-32(41)26-37(16-14-35-13-12-34)18-19-38(25-31(40)28-49-21-11-23-52(45-7,46-8)47-9)17-15-36-24-30(39)27-48-20-10-22-51(42-4,43-5)44-6/h30-32,35-36,39-41H,10-29,34H2,1-9H3.

What are the key properties of 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol?

1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol has a molecular weight of 792.17 g/mol, XLogP of -0.80, 37 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol is sourced from PubChem (CID 88536003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).