2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine

C20H47NO6Si2 — CID 154406554

IUPAC2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine
SMILESCCN(CC(C)OCCCC[SiH](OC)OC)CC(C)OCCCC[SiH](OC)OC
InChIInChI=1S/C20H47NO6Si2/c1-8-21(17-19(2)26-13-9-11-15-28(22-4)23-5)18-20(3)27-14-10-12-16-29(24-6)25-7/h19-20,28-29H,8-18H2,1-7H3
InChIKeyWLBAPUFWKACNSI-UHFFFAOYSA-N
MW453.77 g/mol
LogP2.71
Rot. Bonds21

About 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine

2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine (PubChem CID 154406554) has the molecular formula C20H47NO6Si2 and a molecular weight of 453.77 g/mol. Its IUPAC name is 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine
PubChem CID154406554
Molecular FormulaC20H47NO6Si2
Molecular Weight453.77 g/mol
Exact Mass453.29
IUPAC Name2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine
SMILESCCN(CC(C)OCCCC[SiH](OC)OC)CC(C)OCCCC[SiH](OC)OC
InChIInChI=1S/C20H47NO6Si2/c1-8-21(17-19(2)26-13-9-11-15-28(22-4)23-5)18-20(3)27-14-10-12-16-29(24-6)25-7/h19-20,28-29H,8-18H2,1-7H3
InChIKeyWLBAPUFWKACNSI-UHFFFAOYSA-N
XLogP2.71
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.77
LogP ≤ 52.71
H-Bond Donors ≤ 50
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

dimethoxy-[4-(2-methylpropoxy)butyl]silane
CID 175045016
dimethoxy-[3-[1-(oxiran-2-yl)propan-2-yloxy]propyl]silane
CID 175095095
dimethoxy(pentyl)silane;propan-2-amine
CID 175239274
4-dimethoxysilyl-N,N-dimethylbutan-1-amine
CID 150995989
dimethoxy(nonyl)silane
CID 154057580
tris(5-dimethoxysilylpentyl)silane
CID 123895491
N-(2,2-difluoroethyl)-N-ethyl-2-methoxypropan-1-amine
CID 172573724
N-ethyl-3-methoxy-N-(3-propan-2-yloxypropyl)propan-1-amine
CID 156884772
7-butan-2-yloxyheptan-1-ol
CID 90727194
1-bromo-4-[(2S)-1-methoxypropan-2-yl]oxybutane
CID 75406718
3-diethoxysilylpropyl(dimethoxy)silane
CID 59537920
2-[1-[2-(2-hydroxyethoxy)propyl-[3-[2-(2-hydroxyethoxy)propyl-[2-(2-methoxyethoxy)propyl]amino]propyl]amino]propan-2-yloxy]ethanol
CID 118500183

Frequently Asked Questions

What is the IUPAC name of 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine?
The IUPAC name of 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine (CID 154406554) is 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine?
The canonical SMILES for 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine is CCN(CC(C)OCCCC[SiH](OC)OC)CC(C)OCCCC[SiH](OC)OC.
What is the InChIKey of 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine?
The InChIKey is WLBAPUFWKACNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47NO6Si2/c1-8-21(17-19(2)26-13-9-11-15-28(22-4)23-5)18-20(3)27-14-10-12-16-29(24-6)25-7/h19-20,28-29H,8-18H2,1-7H3.
What are the key properties of 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine?
2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine has a molecular weight of 453.77 g/mol, XLogP of 2.71, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dimethoxysilylbutoxy)-N-[2-(4-dimethoxysilylbutoxy)propyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 154406554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).