N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine

C22H51NO5Si2 — CID 175408992

IUPACN-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine
SMILESCCCCCCCC(NC(CC)[Si](C)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C22H51NO5Si2/c1-9-16-17-18-19-20-22(30(26-13-5,27-14-6)28-15-7)23-21(10-2)29(8,24-11-3)25-12-4/h21-23H,9-20H2,1-8H3
InChIKeyXFUMIUBQXKMZRK-UHFFFAOYSA-N
MW465.82 g/mol
LogP5.36
Rot. Bonds21

About N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine

N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine (PubChem CID 175408992) has the molecular formula C22H51NO5Si2 and a molecular weight of 465.82 g/mol. Its IUPAC name is N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine.

Molecular Properties

Compound NameN-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine
PubChem CID175408992
Molecular FormulaC22H51NO5Si2
Molecular Weight465.82 g/mol
Exact Mass465.33
IUPAC NameN-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine
SMILESCCCCCCCC(NC(CC)[Si](C)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C22H51NO5Si2/c1-9-16-17-18-19-20-22(30(26-13-5,27-14-6)28-15-7)23-21(10-2)29(8,24-11-3)25-12-4/h21-23H,9-20H2,1-8H3
InChIKeyXFUMIUBQXKMZRK-UHFFFAOYSA-N
XLogP5.36
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.82
LogP ≤ 55.36
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-[1-[diethoxy(methyl)silyl]propyl]butan-1-amine
CID 175581846
1-[diethoxy(methyl)silyl]heptan-1-amine
CID 174602385
N-propyl-1-triethoxysilylpropan-1-amine
CID 87094166
1-triethoxysilyldecan-1-amine
CID 87463354
N-chloro-1-triethoxysilylpropan-1-amine
CID 175004161
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
2-triethoxysilyldodecanal
CID 162716787
trihexyl(1-triethoxysilylpropyl)azanium
CID 57211677
triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
CID 54431230
N,N-dimethyl-6-triethoxysilylhenicosan-4-amine
CID 175028426
trifluoro(octadecan-2-yl)silane
CID 58559863
N-(1-trimethoxysilylpropyl)hexan-1-amine
CID 87290664

Frequently Asked Questions

What is the IUPAC name of N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine?
The IUPAC name of N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine (CID 175408992) is N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine.
What is the SMILES notation for N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine?
The canonical SMILES for N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine is CCCCCCCC(NC(CC)[Si](C)(OCC)OCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine?
The InChIKey is XFUMIUBQXKMZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H51NO5Si2/c1-9-16-17-18-19-20-22(30(26-13-5,27-14-6)28-15-7)23-21(10-2)29(8,24-11-3)25-12-4/h21-23H,9-20H2,1-8H3.
What are the key properties of N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine?
N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine has a molecular weight of 465.82 g/mol, XLogP of 5.36, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[diethoxy(methyl)silyl]propyl]-1-triethoxysilyloctan-1-amine is sourced from PubChem (CID 175408992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).