3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine

C12H29NO3Si — CID 149250417

IUPAC3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine
SMILESCOC(C[SiH2]CCCOCCCN(C)C)OC
InChIInChI=1S/C12H29NO3Si/c1-13(2)7-5-8-16-9-6-10-17-11-12(14-3)15-4/h12H,5-11,17H2,1-4H3
InChIKeyOYQQSCVRFVDYKS-UHFFFAOYSA-N
MW263.45 g/mol
LogP0.97
Rot. Bonds12

About 3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine

3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine (PubChem CID 149250417) has the molecular formula C12H29NO3Si and a molecular weight of 263.45 g/mol. Its IUPAC name is 3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine
PubChem CID149250417
Molecular FormulaC12H29NO3Si
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC Name3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine
SMILESCOC(C[SiH2]CCCOCCCN(C)C)OC
InChIInChI=1S/C12H29NO3Si/c1-13(2)7-5-8-16-9-6-10-17-11-12(14-3)15-4/h12H,5-11,17H2,1-4H3
InChIKeyOYQQSCVRFVDYKS-UHFFFAOYSA-N
XLogP0.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,2-diethoxyethylsilyl)ethoxy]-N,N-dimethylpropan-1-amine
CID 149250413
2,2-dimethoxyethyl-[2-(2,2-dimethoxyethylsilyl)ethyl]silane
CID 123339404
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate
CID 159366457
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980
N-alumanyl-3-[2-(dimethylamino)ethoxy]-N-methylpropan-1-amine
CID 156656265
3-(dimethylamino)propyl dimethyl phosphite
CID 129036212
2,2-dimethoxyethyl(3-imidazolidin-1-ylpropyl)silane
CID 172751095
CID 59347745
CID 59347745
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine (CID 149250417) is 3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine is COC(C[SiH2]CCCOCCCN(C)C)OC.
What is the InChIKey of 3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is OYQQSCVRFVDYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO3Si/c1-13(2)7-5-8-16-9-6-10-17-11-12(14-3)15-4/h12H,5-11,17H2,1-4H3.
What are the key properties of 3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine?
3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 0.97, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethoxyethylsilyl)propoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 149250417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).