N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide

C36H56N16O2 — CID 172923908

About N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide

N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide (PubChem CID 172923908) has the molecular formula C36H56N16O2 and a molecular weight of 744.95 g/mol. Its IUPAC name is N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide.

Molecular Properties

• Compound Name: N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide
• PubChem CID: 172923908
• Molecular Formula: C36H56N16O2
• Molecular Weight: 744.95 g/mol
• Exact Mass: 744.48
• IUPAC Name: N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide
• SMILES: C=C(N)C/N=C(\C)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/N=C(N)N)cc(C(C)NN=C(N)N)c2)cc(/C(C)=N/N=C(N)N)c1
• InChI: InChI=1S/C36H56N16O2/c1-21(37)20-44-22(2)26-14-27(23(3)47-50-34(38)39)17-30(16-26)45-32(53)12-10-8-6-7-9-11-13-33(54)46-31-18-28(24(4)48-51-35(40)41)15-29(19-31)25(5)49-52-36(42)43/h14-19,24,48H,1,6-13,20,37H2,2-5H3,(H,45,53)(H,46,54)(H4,38,39,50)(H4,40,41,51)(H4,42,43,52)/b44-22+,47-23+,49-25+
• InChIKey: ZDRUVROSBLYLNJ-RWQYCSGMSA-N
• XLogP: 2.50
• TPSA: 326.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.95
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide?

The IUPAC name of N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide (CID 172923908) is N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide.

What is the SMILES notation for N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide?

The canonical SMILES for N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide is C=C(N)C/N=C(\C)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/N=C(N)N)cc(C(C)NN=C(N)N)c2)cc(/C(C)=N/N=C(N)N)c1.

What is the InChIKey of N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide?

The InChIKey is ZDRUVROSBLYLNJ-RWQYCSGMSA-N. The full InChI is InChI=1S/C36H56N16O2/c1-21(37)20-44-22(2)26-14-27(23(3)47-50-34(38)39)17-30(16-26)45-32(53)12-10-8-6-7-9-11-13-33(54)46-31-18-28(24(4)48-51-35(40)41)15-29(19-31)25(5)49-52-36(42)43/h14-19,24,48H,1,6-13,20,37H2,2-5H3,(H,45,53)(H,46,54)(H4,38,39,50)(H4,40,41,51)(H4,42,43,52)/b44-22+,47-23+,49-25+.

What are the key properties of N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide?

N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide has a molecular weight of 744.95 g/mol, XLogP of 2.50, 21 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-[N-(2-aminoprop-2-enyl)-C-methylcarbonimidoyl]-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-5-[1-[2-(diaminomethylidene)hydrazinyl]ethyl]phenyl]decanediamide is sourced from PubChem (CID 172923908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).