N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine

C40H88N2O5Si2 — CID 171623492

IUPACN,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
SMILESCCCCN(CCCC)CCCCCCCC[Si](OCC)(OCC)O[Si](CCCCCCCCN(CCCC)CCCC)(OCC)OCC
InChIInChI=1S/C40H88N2O5Si2/c1-9-17-33-41(34-18-10-2)37-29-25-21-23-27-31-39-48(43-13-5,44-14-6)47-49(45-15-7,46-16-8)40-32-28-24-22-26-30-38-42(35-19-11-3)36-20-12-4/h9-40H2,1-8H3
InChIKeyWUPJWYDXVYPGNH-UHFFFAOYSA-N
MW733.32 g/mol
LogP11.51
Rot. Bonds40

About N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine

N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine (PubChem CID 171623492) has the molecular formula C40H88N2O5Si2 and a molecular weight of 733.32 g/mol. Its IUPAC name is N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
PubChem CID171623492
Molecular FormulaC40H88N2O5Si2
Molecular Weight733.32 g/mol
Exact Mass732.62
IUPAC NameN,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
SMILESCCCCN(CCCC)CCCCCCCC[Si](OCC)(OCC)O[Si](CCCCCCCCN(CCCC)CCCC)(OCC)OCC
InChIInChI=1S/C40H88N2O5Si2/c1-9-17-33-41(34-18-10-2)37-29-25-21-23-27-31-39-48(43-13-5,44-14-6)47-49(45-15-7,46-16-8)40-32-28-24-22-26-30-38-42(35-19-11-3)36-20-12-4/h9-40H2,1-8H3
InChIKeyWUPJWYDXVYPGNH-UHFFFAOYSA-N
XLogP11.51
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds40
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.32
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
N-butyl-8-[[8-(butylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine
CID 171623525
3-[bis[2-(didodecylamino)ethoxy]-ethoxysilyl]propane-1-thiol
CID 159134516
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
N'-[3-(dipropylamino)propyl]-N,N-dipropyl-N'-(2-triethoxysilylethyl)propane-1,3-diamine
CID 140647743
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine?
The IUPAC name of N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine (CID 171623492) is N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine.
What is the SMILES notation for N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine?
The canonical SMILES for N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine is CCCCN(CCCC)CCCCCCCC[Si](OCC)(OCC)O[Si](CCCCCCCCN(CCCC)CCCC)(OCC)OCC.
What is the InChIKey of N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine?
The InChIKey is WUPJWYDXVYPGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H88N2O5Si2/c1-9-17-33-41(34-18-10-2)37-29-25-21-23-27-31-39-48(43-13-5,44-14-6)47-49(45-15-7,46-16-8)40-32-28-24-22-26-30-38-42(35-19-11-3)36-20-12-4/h9-40H2,1-8H3.
What are the key properties of N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine?
N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine has a molecular weight of 733.32 g/mol, XLogP of 11.51, 40 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-8-[[8-(dibutylamino)octyl-diethoxysilyl]oxy-diethoxysilyl]octan-1-amine is sourced from PubChem (CID 171623492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).