N,N-diethyl-3-triethoxysilylpropan-1-amine

C13H31NO3Si — CID 15001037

IUPACN,N-diethyl-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(CC)CC)(OCC)OCC
InChIInChI=1S/C13H31NO3Si/c1-6-14(7-2)12-11-13-18(15-8-3,16-9-4)17-10-5/h6-13H2,1-5H3
InChIKeyBVBBZEKOMUDXMZ-UHFFFAOYSA-N
MW277.48 g/mol
LogP2.77
Rot. Bonds12

About N,N-diethyl-3-triethoxysilylpropan-1-amine

N,N-diethyl-3-triethoxysilylpropan-1-amine (PubChem CID 15001037) has the molecular formula C13H31NO3Si and a molecular weight of 277.48 g/mol. Its IUPAC name is N,N-diethyl-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-triethoxysilylpropan-1-amine
PubChem CID15001037
Molecular FormulaC13H31NO3Si
Molecular Weight277.48 g/mol
Exact Mass277.21
IUPAC NameN,N-diethyl-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN(CC)CC)(OCC)OCC
InChIInChI=1S/C13H31NO3Si/c1-6-14(7-2)12-11-13-18(15-8-3,16-9-4)17-10-5/h6-13H2,1-5H3
InChIKeyBVBBZEKOMUDXMZ-UHFFFAOYSA-N
XLogP2.77
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-triethoxysilylpropan-1-amine?
The IUPAC name of N,N-diethyl-3-triethoxysilylpropan-1-amine (CID 15001037) is N,N-diethyl-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for N,N-diethyl-3-triethoxysilylpropan-1-amine?
The canonical SMILES for N,N-diethyl-3-triethoxysilylpropan-1-amine is CCO[Si](CCCN(CC)CC)(OCC)OCC.
What is the InChIKey of N,N-diethyl-3-triethoxysilylpropan-1-amine?
The InChIKey is BVBBZEKOMUDXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO3Si/c1-6-14(7-2)12-11-13-18(15-8-3,16-9-4)17-10-5/h6-13H2,1-5H3.
What are the key properties of N,N-diethyl-3-triethoxysilylpropan-1-amine?
N,N-diethyl-3-triethoxysilylpropan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 2.77, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 15001037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).