3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine

C15H35NO4Si — CID 123475763

IUPAC3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine
SMILESCCOCCN(CCC[SiH](OCC)OCC)CCOCC
InChIInChI=1S/C15H35NO4Si/c1-5-17-13-11-16(12-14-18-6-2)10-9-15-21(19-7-3)20-8-4/h21H,5-15H2,1-4H3
InChIKeyNUTVETADBRMNHY-UHFFFAOYSA-N
MW321.53 g/mol
LogP2.05
Rot. Bonds16

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

3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine (PubChem CID 123475763) has the molecular formula C15H35NO4Si and a molecular weight of 321.53 g/mol. Its IUPAC name is 3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine
PubChem CID123475763
Molecular FormulaC15H35NO4Si
Molecular Weight321.53 g/mol
Exact Mass321.23
IUPAC Name3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine
SMILESCCOCCN(CCC[SiH](OCC)OCC)CCOCC
InChIInChI=1S/C15H35NO4Si/c1-5-17-13-11-16(12-14-18-6-2)10-9-15-21(19-7-3)20-8-4/h21H,5-15H2,1-4H3
InChIKeyNUTVETADBRMNHY-UHFFFAOYSA-N
XLogP2.05
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 52.05
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-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine?
The IUPAC name of 3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine (CID 123475763) is 3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine.
What is the SMILES notation for 3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine?
The canonical SMILES for 3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine is CCOCCN(CCC[SiH](OCC)OCC)CCOCC.
What is the InChIKey of 3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine?
The InChIKey is NUTVETADBRMNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35NO4Si/c1-5-17-13-11-16(12-14-18-6-2)10-9-15-21(19-7-3)20-8-4/h21H,5-15H2,1-4H3.
What are the key properties of 3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine?
3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine has a molecular weight of 321.53 g/mol, XLogP of 2.05, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxysilyl-N,N-bis(2-ethoxyethyl)propan-1-amine is sourced from PubChem (CID 123475763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).