N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine

C17H39NO5Si — CID 87132801

IUPACN,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine
SMILESCCOCCN(CCC[Si](OCC)(OCC)OCC)CCOCC
InChIInChI=1S/C17H39NO5Si/c1-6-19-15-13-18(14-16-20-7-2)12-11-17-24(21-8-3,22-9-4)23-10-5/h6-17H2,1-5H3
InChIKeyOPIANWKDQAWYFT-UHFFFAOYSA-N
MW365.59 g/mol
LogP2.80
Rot. Bonds18

About N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine

N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine (PubChem CID 87132801) has the molecular formula C17H39NO5Si and a molecular weight of 365.59 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine
PubChem CID87132801
Molecular FormulaC17H39NO5Si
Molecular Weight365.59 g/mol
Exact Mass365.26
IUPAC NameN,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine
SMILESCCOCCN(CCC[Si](OCC)(OCC)OCC)CCOCC
InChIInChI=1S/C17H39NO5Si/c1-6-19-15-13-18(14-16-20-7-2)12-11-17-24(21-8-3,22-9-4)23-10-5/h6-17H2,1-5H3
InChIKeyOPIANWKDQAWYFT-UHFFFAOYSA-N
XLogP2.80
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine?
The IUPAC name of N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine (CID 87132801) is N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine is CCOCCN(CCC[Si](OCC)(OCC)OCC)CCOCC.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine?
The InChIKey is OPIANWKDQAWYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO5Si/c1-6-19-15-13-18(14-16-20-7-2)12-11-17-24(21-8-3,22-9-4)23-10-5/h6-17H2,1-5H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine?
N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine has a molecular weight of 365.59 g/mol, XLogP of 2.80, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 87132801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).