2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine

C16H39NO6Si2 — CID 154406538

IUPAC2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine
SMILESCO[SiH](CCCOC(C)CNCC(C)OCCC[SiH](OC)OC)OC
InChIInChI=1S/C16H39NO6Si2/c1-15(22-9-7-11-24(18-3)19-4)13-17-14-16(2)23-10-8-12-25(20-5)21-6/h15-17,24-25H,7-14H2,1-6H3
InChIKeyHWQJCFFXBXAVCG-UHFFFAOYSA-N
MW397.66 g/mol
LogP1.19
Rot. Bonds18

About 2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine

2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine (PubChem CID 154406538) has the molecular formula C16H39NO6Si2 and a molecular weight of 397.66 g/mol. Its IUPAC name is 2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine
PubChem CID154406538
Molecular FormulaC16H39NO6Si2
Molecular Weight397.66 g/mol
Exact Mass397.23
IUPAC Name2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine
SMILESCO[SiH](CCCOC(C)CNCC(C)OCCC[SiH](OC)OC)OC
InChIInChI=1S/C16H39NO6Si2/c1-15(22-9-7-11-24(18-3)19-4)13-17-14-16(2)23-10-8-12-25(20-5)21-6/h15-17,24-25H,7-14H2,1-6H3
InChIKeyHWQJCFFXBXAVCG-UHFFFAOYSA-N
XLogP1.19
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine?
The IUPAC name of 2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine (CID 154406538) is 2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine.
What is the SMILES notation for 2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine?
The canonical SMILES for 2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine is CO[SiH](CCCOC(C)CNCC(C)OCCC[SiH](OC)OC)OC.
What is the InChIKey of 2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine?
The InChIKey is HWQJCFFXBXAVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H39NO6Si2/c1-15(22-9-7-11-24(18-3)19-4)13-17-14-16(2)23-10-8-12-25(20-5)21-6/h15-17,24-25H,7-14H2,1-6H3.
What are the key properties of 2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine?
2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine has a molecular weight of 397.66 g/mol, XLogP of 1.19, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dimethoxysilylpropoxy)-N-[2-(3-dimethoxysilylpropoxy)propyl]propan-1-amine is sourced from PubChem (CID 154406538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).