2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol

C17H31N3O4Si — CID 136753245

IUPAC2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol
SMILESCO[Si](CCCNCCNCC/N=C/c1ccccc1O)(OC)OC
InChIInChI=1S/C17H31N3O4Si/c1-22-25(23-2,24-3)14-6-9-18-10-11-19-12-13-20-15-16-7-4-5-8-17(16)21/h4-5,7-8,15,18-19,21H,6,9-14H2,1-3H3/b20-15+
InChIKeyQJOLSBZEAZWMGQ-HMMYKYKNSA-N
MW369.54 g/mol
LogP1.26
Rot. Bonds14

About 2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol

2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol (PubChem CID 136753245) has the molecular formula C17H31N3O4Si and a molecular weight of 369.54 g/mol. Its IUPAC name is 2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol
PubChem CID136753245
Molecular FormulaC17H31N3O4Si
Molecular Weight369.54 g/mol
Exact Mass369.21
IUPAC Name2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol
SMILESCO[Si](CCCNCCNCC/N=C/c1ccccc1O)(OC)OC
InChIInChI=1S/C17H31N3O4Si/c1-22-25(23-2,24-3)14-6-9-18-10-11-19-12-13-20-15-16-7-4-5-8-17(16)21/h4-5,7-8,15,18-19,21H,6,9-14H2,1-3H3/b20-15+
InChIKeyQJOLSBZEAZWMGQ-HMMYKYKNSA-N
XLogP1.26
TPSA84.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol?
The IUPAC name of 2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol (CID 136753245) is 2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol.
What is the SMILES notation for 2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol?
The canonical SMILES for 2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol is CO[Si](CCCNCCNCC/N=C/c1ccccc1O)(OC)OC.
What is the InChIKey of 2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol?
The InChIKey is QJOLSBZEAZWMGQ-HMMYKYKNSA-N. The full InChI is InChI=1S/C17H31N3O4Si/c1-22-25(23-2,24-3)14-6-9-18-10-11-19-12-13-20-15-16-7-4-5-8-17(16)21/h4-5,7-8,15,18-19,21H,6,9-14H2,1-3H3/b20-15+.
What are the key properties of 2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol?
2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol has a molecular weight of 369.54 g/mol, XLogP of 1.26, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol is sourced from PubChem (CID 136753245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).