N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine

C28H64N2O8Si2 — CID 172843842

IUPACN,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine
SMILESCOC(CO[SiH2]CCCCCCNCCCCCCNCCCCCC[SiH2]OCC(OC)(OC)OC)(OC)OC
InChIInChI=1S/C28H64N2O8Si2/c1-31-27(32-2,33-3)25-37-39-23-17-11-9-15-21-29-19-13-7-8-14-20-30-22-16-10-12-18-24-40-38-26-28(34-4,35-5)36-6/h29-30H,7-26,39-40H2,1-6H3
InChIKeyXDOHDSBXJGMUKQ-UHFFFAOYSA-N
MW613.00 g/mol
LogP3.07
Rot. Bonds33

About N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine

N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine (PubChem CID 172843842) has the molecular formula C28H64N2O8Si2 and a molecular weight of 613.00 g/mol. Its IUPAC name is N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine
PubChem CID172843842
Molecular FormulaC28H64N2O8Si2
Molecular Weight613.00 g/mol
Exact Mass612.42
IUPAC NameN,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine
SMILESCOC(CO[SiH2]CCCCCCNCCCCCCNCCCCCC[SiH2]OCC(OC)(OC)OC)(OC)OC
InChIInChI=1S/C28H64N2O8Si2/c1-31-27(32-2,33-3)25-37-39-23-17-11-9-15-21-29-19-13-7-8-14-20-30-22-16-10-12-18-24-40-38-26-28(34-4,35-5)36-6/h29-30H,7-26,39-40H2,1-6H3
InChIKeyXDOHDSBXJGMUKQ-UHFFFAOYSA-N
XLogP3.07
TPSA97.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.00
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine
CID 142729340
N,N'-bis[6-[tris(2-methoxyethoxy)silyl]hexyl]hexane-1,6-diamine
CID 142729348
N-[3-[ethoxy(2,2,2-triethoxyethoxy)silyl]propyl]butan-1-amine
CID 150152362
N,N'-bis(3-diethoxysilylbutyl)hexane-1,6-diamine
CID 154151474
N,N'-bis[4-(2,2-diethoxyethoxysilyl)octyl]propane-1,3-diamine
CID 172807810
N,N'-bis[3-(2,2,2-triethoxyethoxysilyl)propyl]butane-1,4-diamine
CID 172816277
N',N'-bis[3-(2,2,2-triethoxyethoxysilyl)propyl]butane-1,4-diamine
CID 172860148

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine?
The IUPAC name of N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine (CID 172843842) is N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine?
The canonical SMILES for N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine is COC(CO[SiH2]CCCCCCNCCCCCCNCCCCCC[SiH2]OCC(OC)(OC)OC)(OC)OC.
What is the InChIKey of N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine?
The InChIKey is XDOHDSBXJGMUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H64N2O8Si2/c1-31-27(32-2,33-3)25-37-39-23-17-11-9-15-21-29-19-13-7-8-14-20-30-22-16-10-12-18-24-40-38-26-28(34-4,35-5)36-6/h29-30H,7-26,39-40H2,1-6H3.
What are the key properties of N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine?
N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine has a molecular weight of 613.00 g/mol, XLogP of 3.07, 33 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[6-(2,2,2-trimethoxyethoxysilyl)hexyl]hexane-1,6-diamine is sourced from PubChem (CID 172843842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).