3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium

C14H42N3O5Si3+3 — CID 162450716

IUPAC3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium
SMILESCO[Si](C)(CCC[NH3+])O[Si](CCC[NH3+])(OC)O[Si](C)(CCC[NH3+])OC
InChIInChI=1S/C14H39N3O5Si3/c1-18-23(4,12-6-9-15)21-25(20-3,14-8-11-17)22-24(5,19-2)13-7-10-16/h6-17H2,1-5H3/p+3
InChIKeyDHZWSTRJWWSARC-UHFFFAOYSA-Q
MW416.76 g/mol
LogP-1.06
Rot. Bonds16

About 3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium

3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium (PubChem CID 162450716) has the molecular formula C14H42N3O5Si3+3 and a molecular weight of 416.76 g/mol. Its IUPAC name is 3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium.

Molecular Properties

Compound Name3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium
PubChem CID162450716
Molecular FormulaC14H42N3O5Si3+3
Molecular Weight416.76 g/mol
Exact Mass416.24
IUPAC Name3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium
SMILESCO[Si](C)(CCC[NH3+])O[Si](CCC[NH3+])(OC)O[Si](C)(CCC[NH3+])OC
InChIInChI=1S/C14H39N3O5Si3/c1-18-23(4,12-6-9-15)21-25(20-3,14-8-11-17)22-24(5,19-2)13-7-10-16/h6-17H2,1-5H3/p+3
InChIKeyDHZWSTRJWWSARC-UHFFFAOYSA-Q
XLogP-1.06
TPSA129.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.76
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium?
The IUPAC name of 3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium (CID 162450716) is 3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium.
What is the SMILES notation for 3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium?
The canonical SMILES for 3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium is CO[Si](C)(CCC[NH3+])O[Si](CCC[NH3+])(OC)O[Si](C)(CCC[NH3+])OC.
What is the InChIKey of 3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium?
The InChIKey is DHZWSTRJWWSARC-UHFFFAOYSA-Q. The full InChI is InChI=1S/C14H39N3O5Si3/c1-18-23(4,12-6-9-15)21-25(20-3,14-8-11-17)22-24(5,19-2)13-7-10-16/h6-17H2,1-5H3/p+3.
What are the key properties of 3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium?
3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium has a molecular weight of 416.76 g/mol, XLogP of -1.06, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-azaniumylpropyl-(3-azaniumylpropyl-methoxy-methylsilyl)oxy-methoxysilyl]oxy-methoxy-methylsilyl]propylazanium is sourced from PubChem (CID 162450716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).