N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine

C17H41NO7Si2 — CID 162116460

IUPACN-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
SMILESCCCOCCN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C17H41NO7Si2/c1-8-14-25-15-13-18(11-9-16-26(19-2,20-3)21-4)12-10-17-27(22-5,23-6)24-7/h8-17H2,1-7H3
InChIKeyXOCNEPJIFFDTAD-UHFFFAOYSA-N
MW427.69 g/mol
LogP2.25
Rot. Bonds19

About N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine

N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine (PubChem CID 162116460) has the molecular formula C17H41NO7Si2 and a molecular weight of 427.69 g/mol. Its IUPAC name is N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
PubChem CID162116460
Molecular FormulaC17H41NO7Si2
Molecular Weight427.69 g/mol
Exact Mass427.24
IUPAC NameN-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
SMILESCCCOCCN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
InChIInChI=1S/C17H41NO7Si2/c1-8-14-25-15-13-18(11-9-16-26(19-2,20-3)21-4)12-10-17-27(22-5,23-6)24-7/h8-17H2,1-7H3
InChIKeyXOCNEPJIFFDTAD-UHFFFAOYSA-N
XLogP2.25
TPSA67.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.69
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[2-(3-trimethoxysilylpropoxy)ethyl]propan-1-amine;N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;N-propyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 162116459
N'-[3-(diethylamino)propyl]-N,N-diethyl-N'-(3-trimethoxysilylpropyl)propane-1,3-diamine
CID 140647739
N,N-diethyl-2-(2-trimethoxysilylethoxy)ethanamine
CID 90074439
N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine
CID 88853551
N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
CID 106450802
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
N-(2-methoxyethyl)-3-triethoxysilyl-N-(3-triethoxysilylpropyl)propan-1-amine
CID 162775125
N,N-bis(3-trimethoxysilylpropyl)acetamide;N,N-bis(3-trimethoxysilylpropyl)butan-1-amine;N,N-bis(3-trimethoxysilylpropyl)pentan-1-amine;N-(2-ethoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;N-ethyl-2-(3-trimethoxysilylpropoxy)-N-[2-(3-trimethoxysilylpropoxy)ethyl]ethanamine;N-ethyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine;N-propyl-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 158779944
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
3-[propyl(3-trimethoxysilylpropyl)amino]propanoic acid
CID 151472451
N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine
CID 91475328

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine?
The IUPAC name of N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine (CID 162116460) is N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine?
The canonical SMILES for N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine is CCCOCCN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.
What is the InChIKey of N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine?
The InChIKey is XOCNEPJIFFDTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H41NO7Si2/c1-8-14-25-15-13-18(11-9-16-26(19-2,20-3)21-4)12-10-17-27(22-5,23-6)24-7/h8-17H2,1-7H3.
What are the key properties of N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine?
N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine has a molecular weight of 427.69 g/mol, XLogP of 2.25, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 162116460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).