4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine

C31H70N8O8P4Si2 — CID 160959895

About 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine

4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine (PubChem CID 160959895) has the molecular formula C31H70N8O8P4Si2 and a molecular weight of 863.02 g/mol. Its IUPAC name is 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine.

Molecular Properties

• Compound Name: 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine
• PubChem CID: 160959895
• Molecular Formula: C31H70N8O8P4Si2
• Molecular Weight: 863.02 g/mol
• Exact Mass: 862.38
• IUPAC Name: 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine
• SMILES: C#CN(CP(C)(C)=O)CP(=O)(OC)OC.COP(=O)(CN(Cc1cn(CCCC[Si](C)(C)C)nn1)CP(C)(C)=O)OC.C[Si](C)(C)CCCCN=[N+]=[N-]
• InChI: InChI=1S/C16H36N4O4P2Si.C8H17NO4P2.C7H17N3Si/c1-23-26(22,24-2)15-19(14-25(3,4)21)12-16-13-20(18-17-16)10-8-9-11-27(5,6)7;1-6-9(7-14(4,5)10)8-15(11,12-2)13-3;1-11(2,3)7-5-4-6-9-10-8/h13H,8-12,14-15H2,1-7H3;1H,7-8H2,2-5H3;4-7H2,1-3H3
• InChIKey: SWWKZYSUCLKCEO-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 191.15 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	863.02
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine?

The IUPAC name of 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine (CID 160959895) is 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine.

What is the SMILES notation for 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine?

The canonical SMILES for 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine is C#CN(CP(C)(C)=O)CP(=O)(OC)OC.COP(=O)(CN(Cc1cn(CCCC[Si](C)(C)C)nn1)CP(C)(C)=O)OC.C[Si](C)(C)CCCCN=[N+]=[N-].

What is the InChIKey of 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine?

The InChIKey is SWWKZYSUCLKCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O4P2Si.C8H17NO4P2.C7H17N3Si/c1-23-26(22,24-2)15-19(14-25(3,4)21)12-16-13-20(18-17-16)10-8-9-11-27(5,6)7;1-6-9(7-14(4,5)10)8-15(11,12-2)13-3;1-11(2,3)7-5-4-6-9-10-8/h13H,8-12,14-15H2,1-7H3;1H,7-8H2,2-5H3;4-7H2,1-3H3.

What are the key properties of 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine?

4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine has a molecular weight of 863.02 g/mol, XLogP of 9.54, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-azidobutyl(trimethyl)silane;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)ethynamine;N-(dimethoxyphosphorylmethyl)-N-(dimethylphosphorylmethyl)-1-[1-(4-trimethylsilylbutyl)triazol-4-yl]methanamine is sourced from PubChem (CID 160959895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).