N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine

C18H44N2O7Si2 — CID 20618096

IUPACN'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESCO[Si](CCCCOC(C)CNCCNCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C18H44N2O7Si2/c1-18(27-14-8-9-15-28(21-2,22-3)23-4)17-20-13-12-19-11-10-16-29(24-5,25-6)26-7/h18-20H,8-17H2,1-7H3
InChIKeyNZNRBACAVFRTCG-UHFFFAOYSA-N
MW456.73 g/mol
LogP1.50
Rot. Bonds21

About N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine

N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine (PubChem CID 20618096) has the molecular formula C18H44N2O7Si2 and a molecular weight of 456.73 g/mol. Its IUPAC name is N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
PubChem CID20618096
Molecular FormulaC18H44N2O7Si2
Molecular Weight456.73 g/mol
Exact Mass456.27
IUPAC NameN'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
SMILESCO[Si](CCCCOC(C)CNCCNCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C18H44N2O7Si2/c1-18(27-14-8-9-15-28(21-2,22-3)23-4)17-20-13-12-19-11-10-16-29(24-5,25-6)26-7/h18-20H,8-17H2,1-7H3
InChIKeyNZNRBACAVFRTCG-UHFFFAOYSA-N
XLogP1.50
TPSA88.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.73
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 142737750
1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol
CID 20591048
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N-(2-hexoxypropyl)butan-1-amine
CID 62599346
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
1-N-(3-trimethoxysilylpropyl)butane-1,2,3-triamine
CID 175223273
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
N,N'-bis[2-(2-methoxyethoxy)propyl]ethane-1,2-diamine
CID 58589932
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
CID 20741051
N-(2-propoxypropyl)butan-1-amine
CID 62583755

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine (CID 20618096) is N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine is CO[Si](CCCCOC(C)CNCCNCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
The InChIKey is NZNRBACAVFRTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44N2O7Si2/c1-18(27-14-8-9-15-28(21-2,22-3)23-4)17-20-13-12-19-11-10-16-29(24-5,25-6)26-7/h18-20H,8-17H2,1-7H3.
What are the key properties of N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine?
N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine has a molecular weight of 456.73 g/mol, XLogP of 1.50, 21 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 20618096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).