3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine

C18H44N2O6Si2 — CID 58773749

IUPAC3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)OC(C)[C@H](C)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C18H44N2O6Si2/c1-7-21-27(22-8-2,15-11-13-19)25-17(5)18(6)26-28(23-9-3,24-10-4)16-12-14-20/h17-18H,7-16,19-20H2,1-6H3/t17-,18?/m0/s1
InChIKeyHWWFOXGHPDRWID-ZENAZSQFSA-N
MW440.73 g/mol
LogP2.52
Rot. Bonds19

About 3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine

3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine (PubChem CID 58773749) has the molecular formula C18H44N2O6Si2 and a molecular weight of 440.73 g/mol. Its IUPAC name is 3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
PubChem CID58773749
Molecular FormulaC18H44N2O6Si2
Molecular Weight440.73 g/mol
Exact Mass440.27
IUPAC Name3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)OC(C)[C@H](C)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C18H44N2O6Si2/c1-7-21-27(22-8-2,15-11-13-19)25-17(5)18(6)26-28(23-9-3,24-10-4)16-12-14-20/h17-18H,7-16,19-20H2,1-6H3/t17-,18?/m0/s1
InChIKeyHWWFOXGHPDRWID-ZENAZSQFSA-N
XLogP2.52
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.73
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-amine
CID 141368865
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
3-[diethoxy(propan-2-ylsilyloxy)silyl]propan-1-amine
CID 158752728
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
2-[diethoxy(propyl)silyl]oxypropane-1,1-diamine
CID 175506053
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
[3-aminopropyl(diethoxy)silyl] triethyl silicate
CID 22065708
3-[diethoxy(1-hexylsulfonylethoxy)silyl]propan-1-amine
CID 174661627
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
sulfuric acid;3-triethoxysilylpropan-1-amine
CID 172732865
3-(1-aminoethoxy-ethoxy-ethylsilyl)propan-1-amine
CID 174975378
3-[[3-aminopropyl(diethoxy)silyl]oxy-diethoxysilyl]propylazanium
CID 164754127

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine?
The IUPAC name of 3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine (CID 58773749) is 3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine.
What is the SMILES notation for 3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine?
The canonical SMILES for 3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine is CCO[Si](CCCN)(OCC)OC(C)[C@H](C)O[Si](CCCN)(OCC)OCC.
What is the InChIKey of 3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine?
The InChIKey is HWWFOXGHPDRWID-ZENAZSQFSA-N. The full InChI is InChI=1S/C18H44N2O6Si2/c1-7-21-27(22-8-2,15-11-13-19)25-17(5)18(6)26-28(23-9-3,24-10-4)16-12-14-20/h17-18H,7-16,19-20H2,1-6H3/t17-,18?/m0/s1.
What are the key properties of 3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine?
3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine has a molecular weight of 440.73 g/mol, XLogP of 2.52, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-3-[3-aminopropyl(diethoxy)silyl]oxybutan-2-yl]oxy-diethoxysilyl]propan-1-amine is sourced from PubChem (CID 58773749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).