3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine

C14H35NO2Si2 — CID 154087119

IUPAC3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine
SMILESCCO[SiH2]C(C)(C)CCNCCC(C)(C)[SiH2]OCC
InChIInChI=1S/C14H35NO2Si2/c1-7-16-18-13(3,4)9-11-15-12-10-14(5,6)19-17-8-2/h15H,7-12,18-19H2,1-6H3
InChIKeyBVJQJRFLUAMKCY-UHFFFAOYSA-N
MW305.61 g/mol
LogP1.99
Rot. Bonds12

About 3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine

3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine (PubChem CID 154087119) has the molecular formula C14H35NO2Si2 and a molecular weight of 305.61 g/mol. Its IUPAC name is 3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine
PubChem CID154087119
Molecular FormulaC14H35NO2Si2
Molecular Weight305.61 g/mol
Exact Mass305.22
IUPAC Name3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine
SMILESCCO[SiH2]C(C)(C)CCNCCC(C)(C)[SiH2]OCC
InChIInChI=1S/C14H35NO2Si2/c1-7-16-18-13(3,4)9-11-15-12-10-14(5,6)19-17-8-2/h15H,7-12,18-19H2,1-6H3
InChIKeyBVJQJRFLUAMKCY-UHFFFAOYSA-N
XLogP1.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.61
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine?
The IUPAC name of 3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine (CID 154087119) is 3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine?
The canonical SMILES for 3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine is CCO[SiH2]C(C)(C)CCNCCC(C)(C)[SiH2]OCC.
What is the InChIKey of 3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine?
The InChIKey is BVJQJRFLUAMKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H35NO2Si2/c1-7-16-18-13(3,4)9-11-15-12-10-14(5,6)19-17-8-2/h15H,7-12,18-19H2,1-6H3.
What are the key properties of 3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine?
3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine has a molecular weight of 305.61 g/mol, XLogP of 1.99, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine is sourced from PubChem (CID 154087119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).