3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide

C20H45IN2O2Si — CID 11670562

IUPAC3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide
SMILESCO[Si](C)(C)CCCCCCCCCCC(=O)NCCC[N+](C)(C)C.[I-]
InChIInChI=1S/C20H44N2O2Si.HI/c1-22(2,3)18-15-17-21-20(23)16-13-11-9-7-8-10-12-14-19-25(5,6)24-4;/h7-19H2,1-6H3;1H
InChIKeySEXBFCYKOADFKR-UHFFFAOYSA-N
MW500.58 g/mol
LogP1.57
Rot. Bonds16

About 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide

3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide (PubChem CID 11670562) has the molecular formula C20H45IN2O2Si and a molecular weight of 500.58 g/mol. Its IUPAC name is 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide.

Molecular Properties

Compound Name3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide
PubChem CID11670562
Molecular FormulaC20H45IN2O2Si
Molecular Weight500.58 g/mol
Exact Mass500.23
IUPAC Name3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide
SMILESCO[Si](C)(C)CCCCCCCCCCC(=O)NCCC[N+](C)(C)C.[I-]
InChIInChI=1S/C20H44N2O2Si.HI/c1-22(2,3)18-15-17-21-20(23)16-13-11-9-7-8-10-12-14-19-25(5,6)24-4;/h7-19H2,1-6H3;1H
InChIKeySEXBFCYKOADFKR-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide with MolForge

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Related Compounds

[15-[methoxy(dimethyl)silyl]-5-oxopentadecyl]-trimethylazanium
CID 161078508
ethyl 2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetate;11-[methoxy(dimethyl)silyl]-N-propylundecanamide;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]acetic acid;2-[11-[methoxy(dimethyl)silyl]undecanoylamino]ethanesulfonic acid;bis(3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium);iodide
CID 159975132
trimethyl-[3-(octadecanoylamino)propyl]azanium chloride
CID 3015139
trimethyl-[3-[[(E)-octadec-9-enoyl]amino]propyl]azanium
CID 6437413
trimethyl-[11-oxo-11-(2-sulfanylethylamino)undecyl]azanium
CID 101009162
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
dimethyl-octadecyl-[4-oxo-4-[3-(trimethylazaniumyl)propylamino]butyl]azanium
CID 139878279
3-(dec-9-enoylamino)propyl-hydroxy-dimethylazanium;3-(dec-9-enoylamino)propyl-trimethylazanium
CID 160759465
3-(heptadecanoylamino)propyl-(2-methoxy-2-oxoethyl)-dimethylazanium
CID 118501458
2-(heptanoylamino)ethyl-trimethylazanium
CID 101274918
3-(dodecanoylamino)propyl-dimethyl-(2-oxopropyl)azanium
CID 118403102
3-(docosanoylamino)propyl-dimethyl-(2-oxopropyl)azanium
CID 162027110

Frequently Asked Questions

What is the IUPAC name of 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide?
The IUPAC name of 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide (CID 11670562) is 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide.
What is the SMILES notation for 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide?
The canonical SMILES for 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide is CO[Si](C)(C)CCCCCCCCCCC(=O)NCCC[N+](C)(C)C.[I-].
What is the InChIKey of 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide?
The InChIKey is SEXBFCYKOADFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O2Si.HI/c1-22(2,3)18-15-17-21-20(23)16-13-11-9-7-8-10-12-14-19-25(5,6)24-4;/h7-19H2,1-6H3;1H.
What are the key properties of 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide?
3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide has a molecular weight of 500.58 g/mol, XLogP of 1.57, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[11-[methoxy(dimethyl)silyl]undecanoylamino]propyl-trimethylazanium iodide is sourced from PubChem (CID 11670562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).