2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide

C28H58N4O5S — CID 134189737

About 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide

2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide (PubChem CID 134189737) has the molecular formula C28H58N4O5S and a molecular weight of 562.86 g/mol. Its IUPAC name is 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide.

Molecular Properties

• Compound Name: 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
• PubChem CID: 134189737
• Molecular Formula: C28H58N4O5S
• Molecular Weight: 562.86 g/mol
• Exact Mass: 562.41
• IUPAC Name: 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
• SMILES: C/C(N)=N\CCCC(N)C(=O)NCCOCCOCCOCCOCCCCCCCCCCSC(C)C
• InChI: InChI=1S/C28H58N4O5S/c1-25(2)38-24-11-9-7-5-4-6-8-10-16-34-18-20-36-22-23-37-21-19-35-17-15-32-28(33)27(30)13-12-14-31-26(3)29/h25,27H,4-24,30H2,1-3H3,(H2,29,31)(H,32,33)
• InChIKey: FHZRLKAHVSMVEV-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 130.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 29
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.86
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide?

The IUPAC name of 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide (CID 134189737) is 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide.

What is the SMILES notation for 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide?

The canonical SMILES for 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide is C/C(N)=N\CCCC(N)C(=O)NCCOCCOCCOCCOCCCCCCCCCCSC(C)C.

What is the InChIKey of 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide?

The InChIKey is FHZRLKAHVSMVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N4O5S/c1-25(2)38-24-11-9-7-5-4-6-8-10-16-34-18-20-36-22-23-37-21-19-35-17-15-32-28(33)27(30)13-12-14-31-26(3)29/h25,27H,4-24,30H2,1-3H3,(H2,29,31)(H,32,33).

What are the key properties of 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide?

2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide has a molecular weight of 562.86 g/mol, XLogP of 3.92, 29 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(1-aminoethylideneamino)-N-[2-[2-[2-[2-(10-propan-2-ylsulfanyldecoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide is sourced from PubChem (CID 134189737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).