N-(3-triethoxysilylpropyl)octadec-1-en-1-amine

C27H57NO3Si — CID 154053536

IUPACN-(3-triethoxysilylpropyl)octadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCCC=CNCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H57NO3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-26-24-27-32(29-6-2,30-7-3)31-8-4/h23,25,28H,5-22,24,26-27H2,1-4H3
InChIKeySEKOUYGKMHONAO-UHFFFAOYSA-N
MW471.84 g/mol
LogP8.40
Rot. Bonds26

About N-(3-triethoxysilylpropyl)octadec-1-en-1-amine

N-(3-triethoxysilylpropyl)octadec-1-en-1-amine (PubChem CID 154053536) has the molecular formula C27H57NO3Si and a molecular weight of 471.84 g/mol. Its IUPAC name is N-(3-triethoxysilylpropyl)octadec-1-en-1-amine.

Molecular Properties

Compound NameN-(3-triethoxysilylpropyl)octadec-1-en-1-amine
PubChem CID154053536
Molecular FormulaC27H57NO3Si
Molecular Weight471.84 g/mol
Exact Mass471.41
IUPAC NameN-(3-triethoxysilylpropyl)octadec-1-en-1-amine
SMILESCCCCCCCCCCCCCCCCC=CNCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H57NO3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-26-24-27-32(29-6-2,30-7-3)31-8-4/h23,25,28H,5-22,24,26-27H2,1-4H3
InChIKeySEKOUYGKMHONAO-UHFFFAOYSA-N
XLogP8.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.84
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(Z)-N-butylhex-1-en-1-amine
CID 146262840
N'-oct-1-enylhexane-1,6-diamine
CID 139771497
N'-[(E)-tricos-1-enyl]ethane-1,2-diamine
CID 22930928
N'-[(E)-hexadec-1-enyl]ethane-1,2-diamine
CID 22930941
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine
CID 88826631
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine
CID 173430140
triethoxy(non-6-enyl)silane
CID 123954168

Frequently Asked Questions

What is the IUPAC name of N-(3-triethoxysilylpropyl)octadec-1-en-1-amine?
The IUPAC name of N-(3-triethoxysilylpropyl)octadec-1-en-1-amine (CID 154053536) is N-(3-triethoxysilylpropyl)octadec-1-en-1-amine.
What is the SMILES notation for N-(3-triethoxysilylpropyl)octadec-1-en-1-amine?
The canonical SMILES for N-(3-triethoxysilylpropyl)octadec-1-en-1-amine is CCCCCCCCCCCCCCCCC=CNCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of N-(3-triethoxysilylpropyl)octadec-1-en-1-amine?
The InChIKey is SEKOUYGKMHONAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57NO3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-26-24-27-32(29-6-2,30-7-3)31-8-4/h23,25,28H,5-22,24,26-27H2,1-4H3.
What are the key properties of N-(3-triethoxysilylpropyl)octadec-1-en-1-amine?
N-(3-triethoxysilylpropyl)octadec-1-en-1-amine has a molecular weight of 471.84 g/mol, XLogP of 8.40, 26 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-triethoxysilylpropyl)octadec-1-en-1-amine is sourced from PubChem (CID 154053536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).