N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine

C17H42N2O5Si2 — CID 102341543

IUPACN'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
SMILESCCO[Si](CC(C)CNCCN)(C[Si](OCC)(OCC)OCC)OCC
InChIInChI=1S/C17H42N2O5Si2/c1-7-20-25(21-8-2,15-17(6)14-19-13-12-18)16-26(22-9-3,23-10-4)24-11-5/h17,19H,7-16,18H2,1-6H3
InChIKeyAZPILJCPSKBEHF-UHFFFAOYSA-N
MW410.70 g/mol
LogP2.27
Rot. Bonds18

About N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine

N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine (PubChem CID 102341543) has the molecular formula C17H42N2O5Si2 and a molecular weight of 410.70 g/mol. Its IUPAC name is N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
PubChem CID102341543
Molecular FormulaC17H42N2O5Si2
Molecular Weight410.70 g/mol
Exact Mass410.26
IUPAC NameN'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
SMILESCCO[Si](CC(C)CNCCN)(C[Si](OCC)(OCC)OCC)OCC
InChIInChI=1S/C17H42N2O5Si2/c1-7-20-25(21-8-2,15-17(6)14-19-13-12-18)16-26(22-9-3,23-10-4)24-11-5/h17,19H,7-16,18H2,1-6H3
InChIKeyAZPILJCPSKBEHF-UHFFFAOYSA-N
XLogP2.27
TPSA84.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'-[3-[diethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 56649462
3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine
CID 87149014
diethoxy-(2-methylpropyl)-(triethoxysilylmethyl)silane;hydroiodide
CID 175862990
N'-(2-triethoxysilylpropyl)ethane-1,2-diamine
CID 14875971
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
N'-[(2R)-3-[dimethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 99771056
N'-[3-[methoxy(dimethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 53421710
3-[ethoxy(dimethoxy)silyl]-N-ethyl-2-methylpropan-1-amine
CID 87148953
3-[diethoxy(methoxy)silyl]-N-ethyl-2-methylpropan-1-amine
CID 87149314
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603

Frequently Asked Questions

What is the IUPAC name of N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine (CID 102341543) is N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine is CCO[Si](CC(C)CNCCN)(C[Si](OCC)(OCC)OCC)OCC.
What is the InChIKey of N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine?
The InChIKey is AZPILJCPSKBEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42N2O5Si2/c1-7-20-25(21-8-2,15-17(6)14-19-13-12-18)16-26(22-9-3,23-10-4)24-11-5/h17,19H,7-16,18H2,1-6H3.
What are the key properties of N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine?
N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine has a molecular weight of 410.70 g/mol, XLogP of 2.27, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine is sourced from PubChem (CID 102341543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).