3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine

C13H31NO3Si — CID 142737751

IUPAC3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine
SMILESCCCC[Si](CCCNCCOCC)(OC)OC
InChIInChI=1S/C13H31NO3Si/c1-5-7-12-18(15-3,16-4)13-8-9-14-10-11-17-6-2/h14H,5-13H2,1-4H3
InChIKeyBNARTKOINKGBGM-UHFFFAOYSA-N
MW277.48 g/mol
LogP2.54
Rot. Bonds13

About 3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine

3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine (PubChem CID 142737751) has the molecular formula C13H31NO3Si and a molecular weight of 277.48 g/mol. Its IUPAC name is 3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine
PubChem CID142737751
Molecular FormulaC13H31NO3Si
Molecular Weight277.48 g/mol
Exact Mass277.21
IUPAC Name3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine
SMILESCCCC[Si](CCCNCCOCC)(OC)OC
InChIInChI=1S/C13H31NO3Si/c1-5-7-12-18(15-3,16-4)13-8-9-14-10-11-17-6-2/h14H,5-13H2,1-4H3
InChIKeyBNARTKOINKGBGM-UHFFFAOYSA-N
XLogP2.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine
CID 140622922
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
N-[3-[butyl(dipropoxy)silyl]propyl]-3-methoxypropan-1-amine
CID 142740331
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
butyl-dimethoxy-tetradecylsilane
CID 139614249
butyl-decyl-dimethoxysilane
CID 141135588
N-(2-ethoxyethyl)propan-1-amine;methane
CID 157152444
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-bromo-N-(2-ethoxyethyl)butan-1-amine
CID 106844762
hexyl-dimethoxy-nonadecylsilane
CID 139614220
dimethoxy-pentadecyl-undecylsilane
CID 139614261

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine?
The IUPAC name of 3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine (CID 142737751) is 3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine.
What is the SMILES notation for 3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine?
The canonical SMILES for 3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine is CCCC[Si](CCCNCCOCC)(OC)OC.
What is the InChIKey of 3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine?
The InChIKey is BNARTKOINKGBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO3Si/c1-5-7-12-18(15-3,16-4)13-8-9-14-10-11-17-6-2/h14H,5-13H2,1-4H3.
What are the key properties of 3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine?
3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 2.54, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(dimethoxy)silyl]-N-(2-ethoxyethyl)propan-1-amine is sourced from PubChem (CID 142737751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).