3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine

C17H39NO4Si — CID 87132820

IUPAC3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine
SMILESCCOCCN(CCC[Si](CC)(OCC)OCC)CCOCC
InChIInChI=1S/C17H39NO4Si/c1-6-19-15-13-18(14-16-20-7-2)12-11-17-23(10-5,21-8-3)22-9-4/h6-17H2,1-5H3
InChIKeyKCVDFXRBSRUZCJ-UHFFFAOYSA-N
MW349.59 g/mol
LogP3.29
Rot. Bonds17

About 3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine

3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine (PubChem CID 87132820) has the molecular formula C17H39NO4Si and a molecular weight of 349.59 g/mol. Its IUPAC name is 3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine
PubChem CID87132820
Molecular FormulaC17H39NO4Si
Molecular Weight349.59 g/mol
Exact Mass349.26
IUPAC Name3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine
SMILESCCOCCN(CCC[Si](CC)(OCC)OCC)CCOCC
InChIInChI=1S/C17H39NO4Si/c1-6-19-15-13-18(14-16-20-7-2)12-11-17-23(10-5,21-8-3)22-9-4/h6-17H2,1-5H3
InChIKeyKCVDFXRBSRUZCJ-UHFFFAOYSA-N
XLogP3.29
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.59
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine?
The IUPAC name of 3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine (CID 87132820) is 3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine.
What is the SMILES notation for 3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine?
The canonical SMILES for 3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine is CCOCCN(CCC[Si](CC)(OCC)OCC)CCOCC.
What is the InChIKey of 3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine?
The InChIKey is KCVDFXRBSRUZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO4Si/c1-6-19-15-13-18(14-16-20-7-2)12-11-17-23(10-5,21-8-3)22-9-4/h6-17H2,1-5H3.
What are the key properties of 3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine?
3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine has a molecular weight of 349.59 g/mol, XLogP of 3.29, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(ethyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine is sourced from PubChem (CID 87132820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).