dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride

C26H61ClN2O3Si — CID 87433318

IUPACdimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride
SMILESCCCCCCCCCCCCCCCCCCN.CO[Si](CCC[NH+](C)C)(OC)OC.[Cl-]
InChIInChI=1S/C18H39N.C8H21NO3Si.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-9(2)7-6-8-13(10-3,11-4)12-5;/h2-19H2,1H3;6-8H2,1-5H3;1H
InChIKeyVADJNXMCEWLBDD-UHFFFAOYSA-N
MW513.32 g/mol
LogP2.61
Rot. Bonds23

About dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride

dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride (PubChem CID 87433318) has the molecular formula C26H61ClN2O3Si and a molecular weight of 513.32 g/mol. Its IUPAC name is dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride.

Molecular Properties

Compound Namedimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride
PubChem CID87433318
Molecular FormulaC26H61ClN2O3Si
Molecular Weight513.32 g/mol
Exact Mass512.41
IUPAC Namedimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride
SMILESCCCCCCCCCCCCCCCCCCN.CO[Si](CCC[NH+](C)C)(OC)OC.[Cl-]
InChIInChI=1S/C18H39N.C8H21NO3Si.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-9(2)7-6-8-13(10-3,11-4)12-5;/h2-19H2,1H3;6-8H2,1-5H3;1H
InChIKeyVADJNXMCEWLBDD-UHFFFAOYSA-N
XLogP2.61
TPSA58.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
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

hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
1-chlorodecane;3-trimethoxysilylpropan-1-amine
CID 18362097
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
3-[dimethoxy(undecyl)silyl]oxypropan-1-amine
CID 156751574
azane;trimethoxy(pentyl)silane
CID 19608931

Frequently Asked Questions

What is the IUPAC name of dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride?
The IUPAC name of dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride (CID 87433318) is dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride.
What is the SMILES notation for dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride?
The canonical SMILES for dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride is CCCCCCCCCCCCCCCCCCN.CO[Si](CCC[NH+](C)C)(OC)OC.[Cl-].
What is the InChIKey of dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride?
The InChIKey is VADJNXMCEWLBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C8H21NO3Si.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-9(2)7-6-8-13(10-3,11-4)12-5;/h2-19H2,1H3;6-8H2,1-5H3;1H.
What are the key properties of dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride?
dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride has a molecular weight of 513.32 g/mol, XLogP of 2.61, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(3-trimethoxysilylpropyl)azanium;octadecan-1-amine;chloride is sourced from PubChem (CID 87433318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).