2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine

C19H45NO4Si2 — CID 154406547

IUPAC2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine
SMILESCCO[SiH2]CCCOC(C)(C)CN(C)CC(C)(C)OCCC[SiH2]OCC
InChIInChI=1S/C19H45NO4Si2/c1-8-23-25-14-10-12-21-18(3,4)16-20(7)17-19(5,6)22-13-11-15-26-24-9-2/h8-17,25-26H2,1-7H3
InChIKeyPQLVTXUNPOAFQV-UHFFFAOYSA-N
MW407.74 g/mol
LogP2.37
Rot. Bonds18

About 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine

2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine (PubChem CID 154406547) has the molecular formula C19H45NO4Si2 and a molecular weight of 407.74 g/mol. Its IUPAC name is 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine
PubChem CID154406547
Molecular FormulaC19H45NO4Si2
Molecular Weight407.74 g/mol
Exact Mass407.29
IUPAC Name2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine
SMILESCCO[SiH2]CCCOC(C)(C)CN(C)CC(C)(C)OCCC[SiH2]OCC
InChIInChI=1S/C19H45NO4Si2/c1-8-23-25-14-10-12-21-18(3,4)16-20(7)17-19(5,6)22-13-11-15-26-24-9-2/h8-17,25-26H2,1-7H3
InChIKeyPQLVTXUNPOAFQV-UHFFFAOYSA-N
XLogP2.37
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine (CID 154406547) is 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine is CCO[SiH2]CCCOC(C)(C)CN(C)CC(C)(C)OCCC[SiH2]OCC.
What is the InChIKey of 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine?
The InChIKey is PQLVTXUNPOAFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H45NO4Si2/c1-8-23-25-14-10-12-21-18(3,4)16-20(7)17-19(5,6)22-13-11-15-26-24-9-2/h8-17,25-26H2,1-7H3.
What are the key properties of 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine?
2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine has a molecular weight of 407.74 g/mol, XLogP of 2.37, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxysilylpropoxy)-N-[2-(3-ethoxysilylpropoxy)-2-methylpropyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 154406547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).