N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine

C21H54N2O2Si4 — CID 87615586

IUPACN-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine
SMILESCO[Si](C)(CCCN(CCCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)OC
InChIInChI=1S/C21H54N2O2Si4/c1-24-29(12,25-2)21-17-19-22(26(3,4)5)18-15-13-14-16-20-23(27(6,7)8)28(9,10)11/h13-21H2,1-12H3
InChIKeyUIMYMNLLGLACBC-UHFFFAOYSA-N
MW479.02 g/mol
LogP6.41
Rot. Bonds16

About N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine

N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine (PubChem CID 87615586) has the molecular formula C21H54N2O2Si4 and a molecular weight of 479.02 g/mol. Its IUPAC name is N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine
PubChem CID87615586
Molecular FormulaC21H54N2O2Si4
Molecular Weight479.02 g/mol
Exact Mass478.33
IUPAC NameN-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine
SMILESCO[Si](C)(CCCN(CCCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)OC
InChIInChI=1S/C21H54N2O2Si4/c1-24-29(12,25-2)21-17-19-22(26(3,4)5)18-15-13-14-16-20-23(27(6,7)8)28(9,10)11/h13-21H2,1-12H3
InChIKeyUIMYMNLLGLACBC-UHFFFAOYSA-N
XLogP6.41
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.02
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 14993601
CID 14993601
CID 17856810
CID 17856810
CID 19829030
CID 19829030
CID 20807122
CID 20807122
CID 21996751
CID 21996751
CID 23067004
CID 23067004
CID 53634226
CID 53634226
CID 53710421
CID 53710421
CID 53745940
CID 53745940
CID 54243095
CID 54243095
CID 54395286
CID 54395286
CID 86088905
CID 86088905

Frequently Asked Questions

What is the IUPAC name of N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
The IUPAC name of N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine (CID 87615586) is N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine.
What is the SMILES notation for N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
The canonical SMILES for N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine is CO[Si](C)(CCCN(CCCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)OC.
What is the InChIKey of N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
The InChIKey is UIMYMNLLGLACBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H54N2O2Si4/c1-24-29(12,25-2)21-17-19-22(26(3,4)5)18-15-13-14-16-20-23(27(6,7)8)28(9,10)11/h13-21H2,1-12H3.
What are the key properties of N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine has a molecular weight of 479.02 g/mol, XLogP of 6.41, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dimethoxy(methyl)silyl]propyl]-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine is sourced from PubChem (CID 87615586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).