N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine

C19H43NO4Si — CID 142737729

IUPACN-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine
SMILESCCCCO[Si](CCCNCCOCC)(OCCCC)OCCCC
InChIInChI=1S/C19H43NO4Si/c1-5-9-15-22-25(23-16-10-6-2,24-17-11-7-3)19-12-13-20-14-18-21-8-4/h20H,5-19H2,1-4H3
InChIKeyXCPRRBASPAHTEK-UHFFFAOYSA-N
MW377.64 g/mol
LogP4.39
Rot. Bonds20

About N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine

N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine (PubChem CID 142737729) has the molecular formula C19H43NO4Si and a molecular weight of 377.64 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine
PubChem CID142737729
Molecular FormulaC19H43NO4Si
Molecular Weight377.64 g/mol
Exact Mass377.30
IUPAC NameN-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine
SMILESCCCCO[Si](CCCNCCOCC)(OCCCC)OCCCC
InChIInChI=1S/C19H43NO4Si/c1-5-9-15-22-25(23-16-10-6-2,24-17-11-7-3)19-12-13-20-14-18-21-8-4/h20H,5-19H2,1-4H3
InChIKeyXCPRRBASPAHTEK-UHFFFAOYSA-N
XLogP4.39
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.64
LogP ≤ 54.39
H-Bond Donors ≤ 51
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 N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine (CID 142737729) is N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine is CCCCO[Si](CCCNCCOCC)(OCCCC)OCCCC.
What is the InChIKey of N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine?
The InChIKey is XCPRRBASPAHTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO4Si/c1-5-9-15-22-25(23-16-10-6-2,24-17-11-7-3)19-12-13-20-14-18-21-8-4/h20H,5-19H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine?
N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine has a molecular weight of 377.64 g/mol, XLogP of 4.39, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-tributoxysilylpropan-1-amine is sourced from PubChem (CID 142737729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).