2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine

C19H45NO6Si2 — CID 154406552

IUPAC2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine
SMILESCO[SiH](CCCCOC(C)CN(C)CC(C)OCCCC[SiH](OC)OC)OC
InChIInChI=1S/C19H45NO6Si2/c1-18(25-12-8-10-14-27(21-4)22-5)16-20(3)17-19(2)26-13-9-11-15-28(23-6)24-7/h18-19,27-28H,8-17H2,1-7H3
InChIKeyHNHSKPJVJPGEQF-UHFFFAOYSA-N
MW439.74 g/mol
LogP2.32
Rot. Bonds20

About 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine

2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine (PubChem CID 154406552) has the molecular formula C19H45NO6Si2 and a molecular weight of 439.74 g/mol. Its IUPAC name is 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine
PubChem CID154406552
Molecular FormulaC19H45NO6Si2
Molecular Weight439.74 g/mol
Exact Mass439.28
IUPAC Name2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine
SMILESCO[SiH](CCCCOC(C)CN(C)CC(C)OCCCC[SiH](OC)OC)OC
InChIInChI=1S/C19H45NO6Si2/c1-18(25-12-8-10-14-27(21-4)22-5)16-20(3)17-19(2)26-13-9-11-15-28(23-6)24-7/h18-19,27-28H,8-17H2,1-7H3
InChIKeyHNHSKPJVJPGEQF-UHFFFAOYSA-N
XLogP2.32
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.74
LogP ≤ 52.32
H-Bond Donors ≤ 50
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-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine?
The IUPAC name of 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine (CID 154406552) is 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine is CO[SiH](CCCCOC(C)CN(C)CC(C)OCCCC[SiH](OC)OC)OC.
What is the InChIKey of 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine?
The InChIKey is HNHSKPJVJPGEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H45NO6Si2/c1-18(25-12-8-10-14-27(21-4)22-5)16-20(3)17-19(2)26-13-9-11-15-28(23-6)24-7/h18-19,27-28H,8-17H2,1-7H3.
What are the key properties of 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine?
2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine has a molecular weight of 439.74 g/mol, XLogP of 2.32, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-methylpropan-1-amine is sourced from PubChem (CID 154406552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).