N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide

C65H128N12O8 — CID 122633004

About N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide

N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide (PubChem CID 122633004) has the molecular formula C65H128N12O8 and a molecular weight of 1205.81 g/mol. Its IUPAC name is N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide.

Molecular Properties

• Compound Name: N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
• PubChem CID: 122633004
• Molecular Formula: C65H128N12O8
• Molecular Weight: 1205.81 g/mol
• Exact Mass: 1205.00
• IUPAC Name: N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
• SMILES: CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCC
• InChI: InChI=1S/C65H128N12O8/c1-3-5-7-8-9-10-11-15-22-42-58(78)75-55(39-27-31-47-67)63(83)71-51-35-20-13-17-24-44-60(80)77-57(41-29-33-49-69)65(85)73-53-37-21-14-18-25-45-61(81)76-56(40-28-32-48-68)64(84)72-52-36-19-12-16-23-43-59(79)74-54(38-26-30-46-66)62(82)70-50-34-6-4-2/h54-57H,3-53,66-69H2,1-2H3,(H,70,82)(H,71,83)(H,72,84)(H,73,85)(H,74,79)(H,75,78)(H,76,81)(H,77,80)
• InChIKey: BKFPCXHIZAJLLZ-UHFFFAOYSA-N
• XLogP: 8.04
• TPSA: 336.88 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 62
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1205.81
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide?

The IUPAC name of N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide (CID 122633004) is N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide.

What is the SMILES notation for N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide?

The canonical SMILES for N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide is CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCC.

What is the InChIKey of N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide?

The InChIKey is BKFPCXHIZAJLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H128N12O8/c1-3-5-7-8-9-10-11-15-22-42-58(78)75-55(39-27-31-47-67)63(83)71-51-35-20-13-17-24-44-60(80)77-57(41-29-33-49-69)65(85)73-53-37-21-14-18-25-45-61(81)76-56(40-28-32-48-68)64(84)72-52-36-19-12-16-23-43-59(79)74-54(38-26-30-46-66)62(82)70-50-34-6-4-2/h54-57H,3-53,66-69H2,1-2H3,(H,70,82)(H,71,83)(H,72,84)(H,73,85)(H,74,79)(H,75,78)(H,76,81)(H,77,80).

What are the key properties of N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide?

N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide has a molecular weight of 1205.81 g/mol, XLogP of 8.04, 62 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide is sourced from PubChem (CID 122633004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).