3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine

C16H40N2O3Si2 — CID 59502140

IUPAC3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine
SMILESCCO[Si](C)(CCCN)CC(C)(C)O[Si](C)(CCCN)OCC
InChIInChI=1S/C16H40N2O3Si2/c1-7-19-22(5,13-9-11-17)15-16(3,4)21-23(6,20-8-2)14-10-12-18/h7-15,17-18H2,1-6H3
InChIKeyZLWSCXOOUUUFKF-UHFFFAOYSA-N
MW364.68 g/mol
LogP3.20
Rot. Bonds14

About 3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine

3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine (PubChem CID 59502140) has the molecular formula C16H40N2O3Si2 and a molecular weight of 364.68 g/mol. Its IUPAC name is 3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine
PubChem CID59502140
Molecular FormulaC16H40N2O3Si2
Molecular Weight364.68 g/mol
Exact Mass364.26
IUPAC Name3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine
SMILESCCO[Si](C)(CCCN)CC(C)(C)O[Si](C)(CCCN)OCC
InChIInChI=1S/C16H40N2O3Si2/c1-7-19-22(5,13-9-11-17)15-16(3,4)21-23(6,20-8-2)14-10-12-18/h7-15,17-18H2,1-6H3
InChIKeyZLWSCXOOUUUFKF-UHFFFAOYSA-N
XLogP3.20
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.68
LogP ≤ 53.20
H-Bond Donors ≤ 52
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-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine?
The IUPAC name of 3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine (CID 59502140) is 3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine.
What is the SMILES notation for 3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine?
The canonical SMILES for 3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine is CCO[Si](C)(CCCN)CC(C)(C)O[Si](C)(CCCN)OCC.
What is the InChIKey of 3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine?
The InChIKey is ZLWSCXOOUUUFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40N2O3Si2/c1-7-19-22(5,13-9-11-17)15-16(3,4)21-23(6,20-8-2)14-10-12-18/h7-15,17-18H2,1-6H3.
What are the key properties of 3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine?
3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine has a molecular weight of 364.68 g/mol, XLogP of 3.20, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-aminopropyl-ethoxy-methylsilyl)oxy-2-methylpropyl]-ethoxy-methylsilyl]propan-1-amine is sourced from PubChem (CID 59502140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).