6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine

C20H47NO5Si2 — CID 175408997

IUPAC6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine
SMILESCCO[SiH](OCC)C(C)CCCCCNCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H47NO5Si2/c1-7-22-27(23-8-2)20(6)16-13-12-14-17-21-18-15-19-28(24-9-3,25-10-4)26-11-5/h20-21,27H,7-19H2,1-6H3
InChIKeyKPQXLURQTMEGKN-UHFFFAOYSA-N
MW437.77 g/mol
LogP4.26
Rot. Bonds21

About 6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine

6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine (PubChem CID 175408997) has the molecular formula C20H47NO5Si2 and a molecular weight of 437.77 g/mol. Its IUPAC name is 6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine.

Molecular Properties

Compound Name6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine
PubChem CID175408997
Molecular FormulaC20H47NO5Si2
Molecular Weight437.77 g/mol
Exact Mass437.30
IUPAC Name6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine
SMILESCCO[SiH](OCC)C(C)CCCCCNCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C20H47NO5Si2/c1-7-22-27(23-8-2)20(6)16-13-12-14-17-21-18-15-19-28(24-9-3,25-10-4)26-11-5/h20-21,27H,7-19H2,1-6H3
InChIKeyKPQXLURQTMEGKN-UHFFFAOYSA-N
XLogP4.26
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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(3-diethoxysilylbutyl)decane-1,10-diamine
CID 162158714
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
8-dimethoxysilyl-N-(3-dimethoxysilylbutyl)nonan-1-amine
CID 175409014
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
CID 171623525
18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride
CID 175425921
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
2-(6-triethoxysilylhexoxy)-N-[2-(6-triethoxysilylhexoxy)ethyl]ethanamine
CID 141439893

Frequently Asked Questions

What is the IUPAC name of 6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine?
The IUPAC name of 6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine (CID 175408997) is 6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine.
What is the SMILES notation for 6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine?
The canonical SMILES for 6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine is CCO[SiH](OCC)C(C)CCCCCNCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine?
The InChIKey is KPQXLURQTMEGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47NO5Si2/c1-7-22-27(23-8-2)20(6)16-13-12-14-17-21-18-15-19-28(24-9-3,25-10-4)26-11-5/h20-21,27H,7-19H2,1-6H3.
What are the key properties of 6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine?
6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine has a molecular weight of 437.77 g/mol, XLogP of 4.26, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxysilyl-N-(3-triethoxysilylpropyl)heptan-1-amine is sourced from PubChem (CID 175408997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).