4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine

C22H50N2O2Si — CID 140647331

IUPAC4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
SMILESCCCCCC[Si](CC(CC)(CCCN(C)C)CCCN(C)C)(OC)OC
InChIInChI=1S/C22H50N2O2Si/c1-9-11-12-13-20-27(25-7,26-8)21-22(10-2,16-14-18-23(3)4)17-15-19-24(5)6/h9-21H2,1-8H3
InChIKeyCIOQYFKGGRQZSI-UHFFFAOYSA-N
MW402.74 g/mol
LogP5.38
Rot. Bonds18

About 4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine

4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine (PubChem CID 140647331) has the molecular formula C22H50N2O2Si and a molecular weight of 402.74 g/mol. Its IUPAC name is 4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine.

Molecular Properties

Compound Name4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
PubChem CID140647331
Molecular FormulaC22H50N2O2Si
Molecular Weight402.74 g/mol
Exact Mass402.36
IUPAC Name4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine
SMILESCCCCCC[Si](CC(CC)(CCCN(C)C)CCCN(C)C)(OC)OC
InChIInChI=1S/C22H50N2O2Si/c1-9-11-12-13-20-27(25-7,26-8)21-22(10-2,16-14-18-23(3)4)17-15-19-24(5)6/h9-21H2,1-8H3
InChIKeyCIOQYFKGGRQZSI-UHFFFAOYSA-N
XLogP5.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.74
LogP ≤ 55.38
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

2-[[diethoxy(hexyl)silyl]methyl]-2-ethyl-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 140647272
dimethoxy-octyl-pentylsilane
CID 139614094
hexyl-dimethoxy-nonadecylsilane
CID 139614220
dimethoxy-pentadecyl-undecylsilane
CID 139614261
dimethoxy-nonadecyl-nonylsilane
CID 139614040
hexyl-dimethoxy-undecylsilane
CID 139614316
dimethoxy-nonyl-tridecylsilane
CID 139614257
dimethoxy-nonadecyl-pentadecylsilane
CID 139614324
heptyl-dimethoxy-undecylsilane
CID 139614038
hexadecyl-icosyl-dimethoxysilane
CID 139614225
butyl-decyl-dimethoxysilane
CID 141135588
butyl-dimethoxy-tetradecylsilane
CID 139614249

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The IUPAC name of 4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine (CID 140647331) is 4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine.
What is the SMILES notation for 4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The canonical SMILES for 4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine is CCCCCC[Si](CC(CC)(CCCN(C)C)CCCN(C)C)(OC)OC.
What is the InChIKey of 4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
The InChIKey is CIOQYFKGGRQZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N2O2Si/c1-9-11-12-13-20-27(25-7,26-8)21-22(10-2,16-14-18-23(3)4)17-15-19-24(5)6/h9-21H2,1-8H3.
What are the key properties of 4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine?
4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine has a molecular weight of 402.74 g/mol, XLogP of 5.38, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[[hexyl(dimethoxy)silyl]methyl]-N,N,N',N'-tetramethylheptane-1,7-diamine is sourced from PubChem (CID 140647331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).