2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine

C20H50N8O4Si2 — CID 123500215

About 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine

2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine (PubChem CID 123500215) has the molecular formula C20H50N8O4Si2 and a molecular weight of 522.84 g/mol. Its IUPAC name is 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine.

Molecular Properties

• Compound Name: 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine
• PubChem CID: 123500215
• Molecular Formula: C20H50N8O4Si2
• Molecular Weight: 522.84 g/mol
• Exact Mass: 522.35
• IUPAC Name: 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine
• SMILES: CCO[Si](C)(CCCNCCN=C(N)N)OCCCO[Si](C)(CCCNCCN=C(N)N)OC
• InChI: InChI=1S/C20H50N8O4Si2/c1-5-30-34(4,18-7-10-26-12-14-28-20(23)24)32-16-8-15-31-33(3,29-2)17-6-9-25-11-13-27-19(21)22/h25-26H,5-18H2,1-4H3,(H4,21,22,27)(H4,23,24,28)
• InChIKey: PBZAYINGRMCAIJ-UHFFFAOYSA-N
• XLogP: -0.26
• TPSA: 189.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 23
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.84
LogP ≤ 5	-0.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine?

The IUPAC name of 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine (CID 123500215) is 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine.

What is the SMILES notation for 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine?

The canonical SMILES for 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine is CCO[Si](C)(CCCNCCN=C(N)N)OCCCO[Si](C)(CCCNCCN=C(N)N)OC.

What is the InChIKey of 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine?

The InChIKey is PBZAYINGRMCAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H50N8O4Si2/c1-5-30-34(4,18-7-10-26-12-14-28-20(23)24)32-16-8-15-31-33(3,29-2)17-6-9-25-11-13-27-19(21)22/h25-26H,5-18H2,1-4H3,(H4,21,22,27)(H4,23,24,28).

What are the key properties of 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine?

2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine has a molecular weight of 522.84 g/mol, XLogP of -0.26, 23 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[3-[3-[2-(diaminomethylideneamino)ethylamino]propyl-ethoxy-methylsilyl]oxypropoxy-methoxy-methylsilyl]propylamino]ethyl]guanidine is sourced from PubChem (CID 123500215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).