2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium

C34H69N6O8+ — CID 54503007

About 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium

2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium (PubChem CID 54503007) has the molecular formula C34H69N6O8+ and a molecular weight of 689.96 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium
• PubChem CID: 54503007
• Molecular Formula: C34H69N6O8+
• Molecular Weight: 689.96 g/mol
• Exact Mass: 689.52
• IUPAC Name: 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium
• SMILES: CC(C)(C)OC(=O)CN(CCN(CCN)CC[N+](CCNCCN)(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
• InChI: InChI=1S/C34H69N6O8/c1-31(2,3)45-27(41)23-39(24-28(42)46-32(4,5)6)19-18-38(17-14-36)20-22-40(21-16-37-15-13-35,25-29(43)47-33(7,8)9)26-30(44)48-34(10,11)12/h37H,13-26,35-36H2,1-12H3/q+1
• InChIKey: MYXCOBPVPUDURX-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 175.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.96
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium?

The IUPAC name of 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium (CID 54503007) is 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium.

What is the SMILES notation for 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium?

The canonical SMILES for 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium is CC(C)(C)OC(=O)CN(CCN(CCN)CC[N+](CCNCCN)(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.

What is the InChIKey of 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium?

The InChIKey is MYXCOBPVPUDURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69N6O8/c1-31(2,3)45-27(41)23-39(24-28(42)46-32(4,5)6)19-18-38(17-14-36)20-22-40(21-16-37-15-13-35,25-29(43)47-33(7,8)9)26-30(44)48-34(10,11)12/h37H,13-26,35-36H2,1-12H3/q+1.

What are the key properties of 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium?

2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium has a molecular weight of 689.96 g/mol, XLogP of 1.28, 21 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl]-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium is sourced from PubChem (CID 54503007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).