[6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium

C90H184N21O13+7 — CID 71591884

About [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium

[6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium (PubChem CID 71591884) has the molecular formula C90H184N21O13+7 and a molecular weight of 1768.60 g/mol. Its IUPAC name is [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium.

Molecular Properties

• Compound Name: [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium
• PubChem CID: 71591884
• Molecular Formula: C90H184N21O13+7
• Molecular Weight: 1768.60 g/mol
• Exact Mass: 1767.43
• IUPAC Name: [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium
• SMILES: NC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(N)CCCC[NH3+]
• InChI: InChI=1S/C90H177N21O13/c91-58-32-25-45-71(98)85(119)100-65-39-13-1-8-20-53-79(113)107-73(47-27-34-60-93)87(121)102-67-41-15-3-10-22-55-81(115)109-75(49-29-36-62-95)89(123)104-69-43-17-5-12-24-57-83(117)111-77(51-31-38-64-97)90(124)105-70-44-18-6-11-23-56-82(116)110-76(50-30-37-63-96)88(122)103-68-42-16-4-9-21-54-80(114)108-74(48-28-35-61-94)86(120)101-66-40-14-2-7-19-52-78(112)106-72(84(99)118)46-26-33-59-92/h71-77H,1-70,91-98H2,(H2,99,118)(H,100,119)(H,101,120)(H,102,121)(H,103,122)(H,104,123)(H,105,124)(H,106,112)(H,107,113)(H,108,114)(H,109,115)(H,110,116)(H,111,117)/p+7
• InChIKey: PRXJAUPCKUOSBZ-UHFFFAOYSA-U
• XLogP: 0.33
• TPSA: 611.79 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 14
• Rotatable Bonds: 89
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1768.60
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium?

The IUPAC name of [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium (CID 71591884) is [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium.

What is the SMILES notation for [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium?

The canonical SMILES for [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium is NC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(CCCC[NH3+])NC(=O)CCCCCCCNC(=O)C(N)CCCC[NH3+].

What is the InChIKey of [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium?

The InChIKey is PRXJAUPCKUOSBZ-UHFFFAOYSA-U. The full InChI is InChI=1S/C90H177N21O13/c91-58-32-25-45-71(98)85(119)100-65-39-13-1-8-20-53-79(113)107-73(47-27-34-60-93)87(121)102-67-41-15-3-10-22-55-81(115)109-75(49-29-36-62-95)89(123)104-69-43-17-5-12-24-57-83(117)111-77(51-31-38-64-97)90(124)105-70-44-18-6-11-23-56-82(116)110-76(50-30-37-63-96)88(122)103-68-42-16-4-9-21-54-80(114)108-74(48-28-35-61-94)86(120)101-66-40-14-2-7-19-52-78(112)106-72(84(99)118)46-26-33-59-92/h71-77H,1-70,91-98H2,(H2,99,118)(H,100,119)(H,101,120)(H,102,121)(H,103,122)(H,104,123)(H,105,124)(H,106,112)(H,107,113)(H,108,114)(H,109,115)(H,110,116)(H,111,117)/p+7.

What are the key properties of [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium?

[6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium has a molecular weight of 1768.60 g/mol, XLogP of 0.33, 89 rotatable bonds, 21 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [6-amino-5-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[[2-[8-[(2-amino-6-azaniumylhexanoyl)amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-azaniumylhexanoyl]amino]octanoylamino]-6-oxohexyl]azanium is sourced from PubChem (CID 71591884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).