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

C16H37NO4Si — CID 87133013

IUPAC3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine
SMILESCCOCCN(CCC[Si](C)(OCC)OCC)CCOCC
InChIInChI=1S/C16H37NO4Si/c1-6-18-14-12-17(13-15-19-7-2)11-10-16-22(5,20-8-3)21-9-4/h6-16H2,1-5H3
InChIKeyHBNPCKWYEDISDE-UHFFFAOYSA-N
MW335.56 g/mol
LogP2.90
Rot. Bonds16

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

3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine (PubChem CID 87133013) has the molecular formula C16H37NO4Si and a molecular weight of 335.56 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine
PubChem CID87133013
Molecular FormulaC16H37NO4Si
Molecular Weight335.56 g/mol
Exact Mass335.25
IUPAC Name3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine
SMILESCCOCCN(CCC[Si](C)(OCC)OCC)CCOCC
InChIInChI=1S/C16H37NO4Si/c1-6-18-14-12-17(13-15-19-7-2)11-10-16-22(5,20-8-3)21-9-4/h6-16H2,1-5H3
InChIKeyHBNPCKWYEDISDE-UHFFFAOYSA-N
XLogP2.90
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 52.90
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(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine?
The IUPAC name of 3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine (CID 87133013) is 3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine?
The canonical SMILES for 3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine is CCOCCN(CCC[Si](C)(OCC)OCC)CCOCC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine?
The InChIKey is HBNPCKWYEDISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO4Si/c1-6-18-14-12-17(13-15-19-7-2)11-10-16-22(5,20-8-3)21-9-4/h6-16H2,1-5H3.
What are the key properties of 3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine?
3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine has a molecular weight of 335.56 g/mol, XLogP of 2.90, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]-N,N-bis(2-ethoxyethyl)propan-1-amine is sourced from PubChem (CID 87133013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).