trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium

C22H47N2O6Si+ — CID 59805194

IUPACtrimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium
SMILESCCC(C)(CC(C)(C)C(=O)NCCC[N+](C)(C)C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C22H46N2O6Si/c1-11-22(4,20(26)30-16-13-17-31(27-8,28-9)29-10)18-21(2,3)19(25)23-14-12-15-24(5,6)7/h11-18H2,1-10H3/p+1
InChIKeyKBIYQUPNJVACHH-UHFFFAOYSA-O
MW463.71 g/mol
LogP2.84
Rot. Bonds16

About trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium

trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium (PubChem CID 59805194) has the molecular formula C22H47N2O6Si+ and a molecular weight of 463.71 g/mol. Its IUPAC name is trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium
PubChem CID59805194
Molecular FormulaC22H47N2O6Si+
Molecular Weight463.71 g/mol
Exact Mass463.32
IUPAC Nametrimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium
SMILESCCC(C)(CC(C)(C)C(=O)NCCC[N+](C)(C)C)C(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C22H46N2O6Si/c1-11-22(4,20(26)30-16-13-17-31(27-8,28-9)29-10)18-21(2,3)19(25)23-14-12-15-24(5,6)7/h11-18H2,1-10H3/p+1
InChIKeyKBIYQUPNJVACHH-UHFFFAOYSA-O
XLogP2.84
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.71
LogP ≤ 52.84
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(2-hydroxypropylcarbamoyl)-2,2,4-trimethylhexanoyl]amino]propyl-trimethylazanium
CID 58271441
deuterium monohydride;2-[2-[4-dodecoxycarbonyl-2-ethyl-6-(2-hydroxypropoxycarbonyl)-2,4,6,8,8-pentamethyl-9-oxo-9-(3-trihydroxysilylpropoxy)nonanoyl]oxyethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium;2-[2-[4-dodecoxycarbonyl-2-ethyl-6-(2-hydroxypropoxycarbonyl)-2,4,6,8,8-pentamethyl-9-oxo-9-(3-trimethoxysilylpropoxy)nonanoyl]oxyethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium;hydrate
CID 162290667
1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 20643559
deuterium monohydride;2-[2-[4-dodecoxycarbonyl-2-ethyl-6-(2-hydroxypropoxycarbonyl)-2,4,6,8,8-pentamethyl-9-oxo-9-(3-trihydroxysilylpropoxy)nonanoyl]oxyethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium;2-[2-[4-dodecoxycarbonyl-2-ethyl-6-(2-hydroxypropoxycarbonyl)-2,4,6,8,8-pentamethyl-9-oxo-9-(3-trimethoxysilylpropoxy)nonanoyl]oxyethoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium;methane;hydrate
CID 157232794
2-[5-[2-(dimethylamino)ethoxy]-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl]oxyethyl-trimethylazanium
CID 158569103
methane;1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 159055104
2-(2,2-dimethylbutanoyloxy)ethyl 5-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethylamino]-2-ethyl-2,4,4-trimethyl-5-oxopentanoate
CID 158728225
triacontabutyl 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59-hentriacontamethylhenhexacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59-triacontacarboxylate
CID 58163422
pentadecabutyl 1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethylhentriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxylate
CID 176637682
3-[[4-[3-[(4-benzoylbenzoyl)amino]propylcarbamoyl]-2,2,4-trimethylhexanoyl]amino]propyl-trimethylazanium
CID 59254220
2-(5-butoxy-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl)oxyethyl 2-(trimethylazaniumyl)ethyl phosphate
CID 59002362
2-[5-dodecoxycarbonyl-2-ethyl-8-(2-hydroxypropoxycarbonyl)-2,5,8,11-tetramethyl-11-(3-trimethoxysilylpropoxycarbonyl)tridecanoyl]oxyethyl 2-(trimethylazaniumyl)ethyl phosphate
CID 59318676

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium?
The IUPAC name of trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium (CID 59805194) is trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium.
What is the SMILES notation for trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium?
The canonical SMILES for trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium is CCC(C)(CC(C)(C)C(=O)NCCC[N+](C)(C)C)C(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium?
The InChIKey is KBIYQUPNJVACHH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H46N2O6Si/c1-11-22(4,20(26)30-16-13-17-31(27-8,28-9)29-10)18-21(2,3)19(25)23-14-12-15-24(5,6)7/h11-18H2,1-10H3/p+1.
What are the key properties of trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium?
trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium has a molecular weight of 463.71 g/mol, XLogP of 2.84, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[[2,2,4-trimethyl-4-(3-trimethoxysilylpropoxycarbonyl)hexanoyl]amino]propyl]azanium is sourced from PubChem (CID 59805194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).