N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine

C21H54N2OSi4 — CID 123204071

IUPACN-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine
SMILESCC(C)(CCCN(CCCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)O[SiH3]
InChIInChI=1S/C21H54N2OSi4/c1-21(2,24-25)17-16-19-22(26(3,4)5)18-14-12-13-15-20-23(27(6,7)8)28(9,10)11/h12-20H2,1-11,25H3
InChIKeyRKQCXBLQUPIQKQ-UHFFFAOYSA-N
MW463.02 g/mol
LogP5.51
Rot. Bonds15

About N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine

N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine (PubChem CID 123204071) has the molecular formula C21H54N2OSi4 and a molecular weight of 463.02 g/mol. Its IUPAC name is N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine
PubChem CID123204071
Molecular FormulaC21H54N2OSi4
Molecular Weight463.02 g/mol
Exact Mass462.33
IUPAC NameN-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine
SMILESCC(C)(CCCN(CCCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)O[SiH3]
InChIInChI=1S/C21H54N2OSi4/c1-21(2,24-25)17-16-19-22(26(3,4)5)18-14-12-13-15-20-23(27(6,7)8)28(9,10)11/h12-20H2,1-11,25H3
InChIKeyRKQCXBLQUPIQKQ-UHFFFAOYSA-N
XLogP5.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.02
LogP ≤ 55.51
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'}

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Related Compounds

2-methylicosan-2-yloxysilane
CID 173002328
N-methyl-N,N',N'-tris(trimethylsilyl)octane-1,8-diamine
CID 139747027
N,N-bis(trimethylsilyl)ethanamine;(2-methylpropan-2-yl)oxysilane
CID 173078040
dimethyl-(4-methyl-4-silyloxypentyl)phosphane
CID 173465122
dimethyl-(5-methyl-5-silyloxyhexyl)phosphane
CID 173465118
N'-(2-aminoethyl)-N'-trimethylsilylundecane-1,11-diamine
CID 141398149
CID 155629464
CID 155629464
triethyl 4-[bis(trimethylsilyl)amino]butane-1,1,1-tricarboxylate
CID 87248731
trimethylsilyl 6-[bis(trimethylsilyl)amino]hexanoate
CID 529226
4-[diethoxy(methyl)silyl]-N,N-bis(trimethylsilyl)butan-1-amine
CID 87559726
[2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane
CID 173466299
3-dimethylsilyl-N,N-bis(trimethylsilyl)propan-1-amine
CID 154186615

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
The IUPAC name of N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine (CID 123204071) is N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine.
What is the SMILES notation for N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
The canonical SMILES for N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine is CC(C)(CCCN(CCCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)O[SiH3].
What is the InChIKey of N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
The InChIKey is RKQCXBLQUPIQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H54N2OSi4/c1-21(2,24-25)17-16-19-22(26(3,4)5)18-14-12-13-15-20-23(27(6,7)8)28(9,10)11/h12-20H2,1-11,25H3.
What are the key properties of N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine?
N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine has a molecular weight of 463.02 g/mol, XLogP of 5.51, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-4-silyloxypentyl)-N,N',N'-tris(trimethylsilyl)hexane-1,6-diamine is sourced from PubChem (CID 123204071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).