3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine

C17H41NO6Si2 — CID 87149014

IUPAC3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine
SMILESCCO[Si](CCCNCC(C)C[Si](OC)(OCC)OCC)(OC)OCC
InChIInChI=1S/C17H41NO6Si2/c1-8-21-25(19-6,22-9-2)14-12-13-18-15-17(5)16-26(20-7,23-10-3)24-11-4/h17-18H,8-16H2,1-7H3
InChIKeyXBPLKWXGJIFLDS-UHFFFAOYSA-N
MW411.69 g/mol
LogP2.92
Rot. Bonds18

About 3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine

3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine (PubChem CID 87149014) has the molecular formula C17H41NO6Si2 and a molecular weight of 411.69 g/mol. Its IUPAC name is 3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine
PubChem CID87149014
Molecular FormulaC17H41NO6Si2
Molecular Weight411.69 g/mol
Exact Mass411.25
IUPAC Name3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine
SMILESCCO[Si](CCCNCC(C)C[Si](OC)(OCC)OCC)(OC)OCC
InChIInChI=1S/C17H41NO6Si2/c1-8-21-25(19-6,22-9-2)14-12-13-18-15-17(5)16-26(20-7,23-10-3)24-11-4/h17-18H,8-16H2,1-7H3
InChIKeyXBPLKWXGJIFLDS-UHFFFAOYSA-N
XLogP2.92
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.69
LogP ≤ 52.92
H-Bond Donors ≤ 51
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

3-[diethoxy(methoxy)silyl]-N-ethyl-2-methylpropan-1-amine
CID 87149314
3-[ethoxy(dimethoxy)silyl]-N-ethyl-2-methylpropan-1-amine
CID 87148953
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-[3-[diethoxy(triethoxysilylmethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 102341543
N'-[3-[diethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 56649462
1-N-(3-trimethoxysilylpropyl)butane-1,2,3-triamine
CID 175223273
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N-ethyl-3-triethoxysilylpropan-1-amine;silane
CID 161213931
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
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-[1-aminoethoxy(diethoxy)silyl]-N-ethylpropan-1-amine
CID 87523892

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine (CID 87149014) is 3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine is CCO[Si](CCCNCC(C)C[Si](OC)(OCC)OCC)(OC)OCC.
What is the InChIKey of 3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine?
The InChIKey is XBPLKWXGJIFLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H41NO6Si2/c1-8-21-25(19-6,22-9-2)14-12-13-18-15-17(5)16-26(20-7,23-10-3)24-11-4/h17-18H,8-16H2,1-7H3.
What are the key properties of 3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine?
3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine has a molecular weight of 411.69 g/mol, XLogP of 2.92, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methoxy)silyl]-N-[3-[diethoxy(methoxy)silyl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 87149014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).