dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride

C16H35ClN2O4Si — CID 22134284

IUPACdimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride
SMILESC=C(C)C(=O)NC(C)(C)C[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C16H34N2O4Si.ClH/c1-14(2)15(19)17-16(3,4)13-18(5,6)11-10-12-23(20-7,21-8)22-9;/h1,10-13H2,2-9H3;1H
InChIKeyCPBLCTUXIXKQCQ-UHFFFAOYSA-N
MW383.01 g/mol
LogP-1.19
Rot. Bonds11

About dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride

dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride (PubChem CID 22134284) has the molecular formula C16H35ClN2O4Si and a molecular weight of 383.01 g/mol. Its IUPAC name is dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride
PubChem CID22134284
Molecular FormulaC16H35ClN2O4Si
Molecular Weight383.01 g/mol
Exact Mass382.21
IUPAC Namedimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride
SMILESC=C(C)C(=O)NC(C)(C)C[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-]
InChIInChI=1S/C16H34N2O4Si.ClH/c1-14(2)15(19)17-16(3,4)13-18(5,6)11-10-12-23(20-7,21-8)22-9;/h1,10-13H2,2-9H3;1H
InChIKeyCPBLCTUXIXKQCQ-UHFFFAOYSA-N
XLogP-1.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.01
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-trimethoxysilylpropane-1-thiol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 169430479
3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium
CID 91556508
[3-(ethylamino)-3-oxopropyl]-dimethyl-[3-methyl-3-(2-methylprop-2-enoylamino)butyl]azanium
CID 134926939
carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 3019214
dimethyl-[3-methyl-3-(2-methylprop-2-enoylamino)butyl]-[3-oxo-3-(propan-2-ylamino)propyl]azanium chloride
CID 134927050
azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
butyl-dimethyl-(3-trimethoxysilylpropyl)azanium bromide
CID 177425552
2-methyl-12-trimethoxysilyldodec-1-en-3-one
CID 176884271
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
azane;chloromethane;dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-(2-oxobut-3-enyl)azanium
CID 174955703
methanolate;bis(trimethyl(3-trimethoxysilylpropyl)azanium);chloride
CID 156778994

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride?
The IUPAC name of dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride (CID 22134284) is dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride.
What is the SMILES notation for dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride?
The canonical SMILES for dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride is C=C(C)C(=O)NC(C)(C)C[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-].
What is the InChIKey of dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride?
The InChIKey is CPBLCTUXIXKQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4Si.ClH/c1-14(2)15(19)17-16(3,4)13-18(5,6)11-10-12-23(20-7,21-8)22-9;/h1,10-13H2,2-9H3;1H.
What are the key properties of dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride?
dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride has a molecular weight of 383.01 g/mol, XLogP of -1.19, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-methyl-2-(2-methylprop-2-enoylamino)propyl]-(3-trimethoxysilylpropyl)azanium chloride is sourced from PubChem (CID 22134284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).