1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide

C41H89IN2O2Si2 — CID 158990747

IUPAC1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide
SMILESCN(C)CCCCC(=O)CCCCCCCCCC[Si](C)(C)C.C[N+](C)(C)CCCCC(=O)CCCCCCCCCC[Si](C)(C)C.[I-]
InChIInChI=1S/C21H46NOSi.C20H43NOSi.HI/c1-22(2,3)19-15-14-18-21(23)17-13-11-9-7-8-10-12-16-20-24(4,5)6;1-21(2)18-14-13-17-20(22)16-12-10-8-6-7-9-11-15-19-23(3,4)5;/h7-20H2,1-6H3;6-19H2,1-5H3;1H/q+1;;/p-1
InChIKeyRAMMYIDSUXSVEV-UHFFFAOYSA-M
MW825.25 g/mol
LogP9.42
Rot. Bonds32

About 1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide

1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide (PubChem CID 158990747) has the molecular formula C41H89IN2O2Si2 and a molecular weight of 825.25 g/mol. Its IUPAC name is 1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide.

Molecular Properties

Compound Name1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide
PubChem CID158990747
Molecular FormulaC41H89IN2O2Si2
Molecular Weight825.25 g/mol
Exact Mass824.55
IUPAC Name1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide
SMILESCN(C)CCCCC(=O)CCCCCCCCCC[Si](C)(C)C.C[N+](C)(C)CCCCC(=O)CCCCCCCCCC[Si](C)(C)C.[I-]
InChIInChI=1S/C21H46NOSi.C20H43NOSi.HI/c1-22(2,3)19-15-14-18-21(23)17-13-11-9-7-8-10-12-16-20-24(4,5)6;1-21(2)18-14-13-17-20(22)16-12-10-8-6-7-9-11-15-19-23(3,4)5;/h7-20H2,1-6H3;6-19H2,1-5H3;1H/q+1;;/p-1
InChIKeyRAMMYIDSUXSVEV-UHFFFAOYSA-M
XLogP9.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.25
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium
CID 161078508
6-azaniumylhexyl(trimethyl)azanium;6-(dimethylamino)hexyl-trimethylazanium;bromide;diiodide
CID 157200048
trimethyl(3-trimethylsilylpropyl)azanium chloride
CID 87931852
N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide
CID 158948752
trimethyl-[11-oxo-11-(2-sulfanylethylamino)undecyl]azanium
CID 101009162
6-carboxyhexyl(trimethyl)azanium
CID 70691026
1-(dimethylamino)nonan-3-one
CID 115345762
1-(dimethylamino)-11-hexylheptadecan-6-one
CID 170053331
14-(trimethylazaniumyl)tetradecanoate
CID 172851889
(14-chloro-14-oxotetradecyl)-trimethylazanium
CID 177226605
16-(trimethylazaniumyl)hexadecanoate
CID 172771890
1-(dimethylamino)nonadecan-3-one;hydrochloride
CID 160791865

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide?
The IUPAC name of 1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide (CID 158990747) is 1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide.
What is the SMILES notation for 1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide?
The canonical SMILES for 1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide is CN(C)CCCCC(=O)CCCCCCCCCC[Si](C)(C)C.C[N+](C)(C)CCCCC(=O)CCCCCCCCCC[Si](C)(C)C.[I-].
What is the InChIKey of 1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide?
The InChIKey is RAMMYIDSUXSVEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H46NOSi.C20H43NOSi.HI/c1-22(2,3)19-15-14-18-21(23)17-13-11-9-7-8-10-12-16-20-24(4,5)6;1-21(2)18-14-13-17-20(22)16-12-10-8-6-7-9-11-15-19-23(3,4)5;/h7-20H2,1-6H3;6-19H2,1-5H3;1H/q+1;;/p-1.
What are the key properties of 1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide?
1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide has a molecular weight of 825.25 g/mol, XLogP of 9.42, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-15-trimethylsilylpentadecan-5-one;trimethyl-(5-oxo-15-trimethylsilylpentadecyl)azanium;iodide is sourced from PubChem (CID 158990747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).