N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine

C24H60N4O6Si2 — CID 157123454

IUPACN'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
SMILESCO[Si](CCCNCCCCCCN)(OC)OC.CO[Si](CCCNCCCCCCN)(OC)OC
InChIInChI=1S/2C12H30N2O3Si/c2*1-15-18(16-2,17-3)12-8-11-14-10-7-5-4-6-9-13/h2*14H,4-13H2,1-3H3
InChIKeyAIFZWVWBWAAQCN-UHFFFAOYSA-N
MW556.94 g/mol
LogP2.73
Rot. Bonds26

About N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine

N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine (PubChem CID 157123454) has the molecular formula C24H60N4O6Si2 and a molecular weight of 556.94 g/mol. Its IUPAC name is N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
PubChem CID157123454
Molecular FormulaC24H60N4O6Si2
Molecular Weight556.94 g/mol
Exact Mass556.41
IUPAC NameN'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
SMILESCO[Si](CCCNCCCCCCN)(OC)OC.CO[Si](CCCNCCCCCCN)(OC)OC
InChIInChI=1S/2C12H30N2O3Si/c2*1-15-18(16-2,17-3)12-8-11-14-10-7-5-4-6-9-13/h2*14H,4-13H2,1-3H3
InChIKeyAIFZWVWBWAAQCN-UHFFFAOYSA-N
XLogP2.73
TPSA131.48 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.94
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N'-[3-[hydroxy(dimethoxy)silyl]propyl]hexane-1,6-diamine
CID 89177405
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
CID 158654505
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
N'-(3-trimethylsilylpropyl)pentane-1,5-diamine
CID 161138133
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
N-[3-[dimethoxy(methyl)silyl]propyl]-6-trimethoxysilylhexan-1-amine
CID 175874153
N'-[3-(trimethoxysilylamino)propyl]hexane-1,6-diamine
CID 87376652

Frequently Asked Questions

What is the IUPAC name of N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine?
The IUPAC name of N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine (CID 157123454) is N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine?
The canonical SMILES for N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine is CO[Si](CCCNCCCCCCN)(OC)OC.CO[Si](CCCNCCCCCCN)(OC)OC.
What is the InChIKey of N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine?
The InChIKey is AIFZWVWBWAAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H30N2O3Si/c2*1-15-18(16-2,17-3)12-8-11-14-10-7-5-4-6-9-13/h2*14H,4-13H2,1-3H3.
What are the key properties of N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine?
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine has a molecular weight of 556.94 g/mol, XLogP of 2.73, 26 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine is sourced from PubChem (CID 157123454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).