Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane

C₃₅H₆₉N₉O₈ — CID 144543518

About Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane

Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane (PubChem CID 144543518) has the molecular formula C₃₅H₆₉N₉O₈ and a molecular weight of 743.99 g/mol. Its IUPAC name is acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane.

Molecular Properties

• Compound Name: Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane
• PubChem CID: 144543518
• Molecular Formula: C₃₅H₆₉N₉O₈
• Molecular Weight: 743.99 g/mol
• Exact Mass: 743.53
• IUPAC Name: acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane
• SMILES: CC.CC=O.COCc1cn(CCCCC(=O)NCCCCC(NC(C)(C)C(=O)CCC(=O)NCCOCCOCCNC(C)(C)N)C(N)=O)nn1
• InChI: InChI=1S/C31H59N9O7.C2H4O.C2H6/c1-30(2,26(41)12-13-28(43)35-15-18-46-20-21-47-19-16-36-31(3,4)33)37-25(29(32)44)10-6-8-14-34-27(42)11-7-9-17-40-22-24(23-45-5)38-39-40;1-2-3;1-2/h22,25,36-37H,6-21,23,33H2,1-5H3,(H2,32,44)(H,34,42)(H,35,43);2H,1H3;1-2H3
• InChIKey: IZCYZNKDPMRVKD-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 243.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 29
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	743.99
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane?

The IUPAC name of Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane (CID 144543518) is acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane.

What is the SMILES notation for Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane?

The canonical SMILES for Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane is CC.CC=O.COCc1cn(CCCCC(=O)NCCCCC(NC(C)(C)C(=O)CCC(=O)NCCOCCOCCNC(C)(C)N)C(N)=O)nn1.

What is the InChIKey of Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane?

The InChIKey is IZCYZNKDPMRVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59N9O7.C2H4O.C2H6/c1-30(2,26(41)12-13-28(43)35-15-18-46-20-21-47-19-16-36-31(3,4)33)37-25(29(32)44)10-6-8-14-34-27(42)11-7-9-17-40-22-24(23-45-5)38-39-40;1-2-3;1-2/h22,25,36-37H,6-21,23,33H2,1-5H3,(H2,32,44)(H,34,42)(H,35,43);2H,1H3;1-2H3.

What are the key properties of Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane?

Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane has a molecular weight of 743.99 g/mol, XLogP of 1.12, 29 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for Acetaldehyde;5-[[1-amino-6-[5-[4-(methoxymethyl)triazol-1-yl]pentanoylamino]-1-oxohexan-2-yl]amino]-N-[2-[2-[2-(2-aminopropan-2-ylamino)ethoxy]ethoxy]ethyl]-5-methyl-4-oxohexanamide;ethane is sourced from PubChem (CID 144543518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144543518 — identifiers, structure, computed properties (public domain)

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