dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium

C14H31N2OSi+ — CID 123631288

IUPACdimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium
SMILESC=C(C)C(=O)NCCC(C)[N+](C)(C)CCCC[SiH3]
InChIInChI=1S/C14H30N2OSi/c1-12(2)14(17)15-9-8-13(3)16(4,5)10-6-7-11-18/h13H,1,6-11H2,2-5,18H3/p+1
InChIKeyYCIFYIFGVUTNNE-UHFFFAOYSA-O
MW271.50 g/mol
LogP1.10
Rot. Bonds9

About dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium

dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium (PubChem CID 123631288) has the molecular formula C14H31N2OSi+ and a molecular weight of 271.50 g/mol. Its IUPAC name is dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium.

Molecular Properties

Compound Namedimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium
PubChem CID123631288
Molecular FormulaC14H31N2OSi+
Molecular Weight271.50 g/mol
Exact Mass271.22
IUPAC Namedimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium
SMILESC=C(C)C(=O)NCCC(C)[N+](C)(C)CCCC[SiH3]
InChIInChI=1S/C14H30N2OSi/c1-12(2)14(17)15-9-8-13(3)16(4,5)10-6-7-11-18/h13H,1,6-11H2,2-5,18H3/p+1
InChIKeyYCIFYIFGVUTNNE-UHFFFAOYSA-O
XLogP1.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.50
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583
trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
CID 118388931
azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
CID 172822274
N,N-dimethyl-3-(2-methylprop-2-enoylamino)propan-1-amine oxide
CID 87182014
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-octylazanium
CID 87318996
[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 138394841
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
3-[dimethyl-[(2-methylprop-2-enoylamino)methyl]azaniumyl]butane-1-sulfonate
CID 134346705
carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 3019214
N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
12-[dimethyl-(6-methyl-5-oxohept-6-enyl)azaniumyl]dodecyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium dibromide
CID 167613154

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium?
The IUPAC name of dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium (CID 123631288) is dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium.
What is the SMILES notation for dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium?
The canonical SMILES for dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium is C=C(C)C(=O)NCCC(C)[N+](C)(C)CCCC[SiH3].
What is the InChIKey of dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium?
The InChIKey is YCIFYIFGVUTNNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H30N2OSi/c1-12(2)14(17)15-9-8-13(3)16(4,5)10-6-7-11-18/h13H,1,6-11H2,2-5,18H3/p+1.
What are the key properties of dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium?
dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium has a molecular weight of 271.50 g/mol, XLogP of 1.10, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(2-methylprop-2-enoylamino)butan-2-yl]-(4-silylbutyl)azanium is sourced from PubChem (CID 123631288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).