11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane

C39H83N3O5Si2 — CID 158726437

IUPAC11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane
SMILESC.CC(C)[Si](C)(C)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O.CN.CNC(=O)CCCCCCCCCC[Si](C)(C)C(C)C
InChIInChI=1S/C20H37NO4Si.C17H37NOSi.CH5N.CH4/c1-17(2)26(3,4)16-12-10-8-6-5-7-9-11-13-20(24)25-21-18(22)14-15-19(21)23;1-16(2)20(4,5)15-13-11-9-7-6-8-10-12-14-17(19)18-3;1-2;/h17H,5-16H2,1-4H3;16H,6-15H2,1-5H3,(H,18,19);2H2,1H3;1H4
InChIKeyIKODBHGIMUEZBL-UHFFFAOYSA-N
MW730.28 g/mol
LogP10.80
Rot. Bonds25

About 11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane

11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane (PubChem CID 158726437) has the molecular formula C39H83N3O5Si2 and a molecular weight of 730.28 g/mol. Its IUPAC name is 11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane.

Molecular Properties

Compound Name11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane
PubChem CID158726437
Molecular FormulaC39H83N3O5Si2
Molecular Weight730.28 g/mol
Exact Mass729.59
IUPAC Name11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane
SMILESC.CC(C)[Si](C)(C)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O.CN.CNC(=O)CCCCCCCCCC[Si](C)(C)C(C)C
InChIInChI=1S/C20H37NO4Si.C17H37NOSi.CH5N.CH4/c1-17(2)26(3,4)16-12-10-8-6-5-7-9-11-13-20(24)25-21-18(22)14-15-19(21)23;1-16(2)20(4,5)15-13-11-9-7-6-8-10-12-14-17(19)18-3;1-2;/h17H,5-16H2,1-4H3;16H,6-15H2,1-5H3,(H,18,19);2H2,1H3;1H4
InChIKeyIKODBHGIMUEZBL-UHFFFAOYSA-N
XLogP10.80
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.28
LogP ≤ 510.80
H-Bond Donors ≤ 52
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 157191041
CID 157191041
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxopropan-2-yl]amino]-6-oxohexanoate
CID 129055813
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
(2,5-dioxopyrrolidin-1-yl) 6-[3-[dimethyl(silyloxy)silyl]propylamino]-6-oxohexanoate
CID 163761392
(2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate
CID 102112426
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) 5-[3-[ethoxy-di(propan-2-yl)silyl]propylamino]-5-oxopentanoate
CID 24826459
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111
(2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate
CID 170024756

Frequently Asked Questions

What is the IUPAC name of 11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane?
The IUPAC name of 11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane (CID 158726437) is 11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane.
What is the SMILES notation for 11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane?
The canonical SMILES for 11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane is C.CC(C)[Si](C)(C)CCCCCCCCCCC(=O)ON1C(=O)CCC1=O.CN.CNC(=O)CCCCCCCCCC[Si](C)(C)C(C)C.
What is the InChIKey of 11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane?
The InChIKey is IKODBHGIMUEZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4Si.C17H37NOSi.CH5N.CH4/c1-17(2)26(3,4)16-12-10-8-6-5-7-9-11-13-20(24)25-21-18(22)14-15-19(21)23;1-16(2)20(4,5)15-13-11-9-7-6-8-10-12-14-17(19)18-3;1-2;/h17H,5-16H2,1-4H3;16H,6-15H2,1-5H3,(H,18,19);2H2,1H3;1H4.
What are the key properties of 11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane?
11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane has a molecular weight of 730.28 g/mol, XLogP of 10.80, 25 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[dimethyl(propan-2-yl)silyl]-N-methylundecanamide;(2,5-dioxopyrrolidin-1-yl) 11-[dimethyl(propan-2-yl)silyl]undecanoate;methanamine;methane is sourced from PubChem (CID 158726437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).