4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine

C16H37NO4Si — CID 173014058

IUPAC4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine
SMILESCCOC(C)N(CCCC[SiH](OCC)OCC)C(C)OCC
InChIInChI=1S/C16H37NO4Si/c1-7-18-15(5)17(16(6)19-8-2)13-11-12-14-22(20-9-3)21-10-4/h15-16,22H,7-14H2,1-6H3
InChIKeyXKSVOPBXGYHJFX-UHFFFAOYSA-N
MW335.56 g/mol
LogP3.13
Rot. Bonds15

About 4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine

4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine (PubChem CID 173014058) has the molecular formula C16H37NO4Si and a molecular weight of 335.56 g/mol. Its IUPAC name is 4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine
PubChem CID173014058
Molecular FormulaC16H37NO4Si
Molecular Weight335.56 g/mol
Exact Mass335.25
IUPAC Name4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine
SMILESCCOC(C)N(CCCC[SiH](OCC)OCC)C(C)OCC
InChIInChI=1S/C16H37NO4Si/c1-7-18-15(5)17(16(6)19-8-2)13-11-12-14-22(20-9-3)21-10-4/h15-16,22H,7-14H2,1-6H3
InChIKeyXKSVOPBXGYHJFX-UHFFFAOYSA-N
XLogP3.13
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 53.13
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9-diethoxysilylnonyl(diethoxy)silane
CID 123249376
N,N-bis(1-ethoxyethyl)-5-ethyl-5-silyloxyheptan-1-amine
CID 173014057
diethoxy(tetracosyl)silane
CID 151502912
N-(4-diethoxysilylbutyl)-N-(oxiran-2-yl)oxiran-2-amine
CID 173014001
7-bromoheptyl(diethoxy)silane
CID 174144161
5-diethoxysilyl-2-methylpentan-1-amine
CID 123238269
3-diethoxysilylpropyl(dimethoxy)silane
CID 59537920
3-diethoxysilylpropyl(triethoxy)silane
CID 123524141
2-(4-diethoxysilylbutylamino)ethanol
CID 173106587
N-butyl-N-(1-ethoxyethyl)hydroxylamine
CID 21400500
N-[2-[ethoxy(methyl)silyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 154410173
8-diethoxysilyloct-1-en-3-one
CID 175421889

Frequently Asked Questions

What is the IUPAC name of 4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine?
The IUPAC name of 4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine (CID 173014058) is 4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine.
What is the SMILES notation for 4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine?
The canonical SMILES for 4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine is CCOC(C)N(CCCC[SiH](OCC)OCC)C(C)OCC.
What is the InChIKey of 4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine?
The InChIKey is XKSVOPBXGYHJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO4Si/c1-7-18-15(5)17(16(6)19-8-2)13-11-12-14-22(20-9-3)21-10-4/h15-16,22H,7-14H2,1-6H3.
What are the key properties of 4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine?
4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine has a molecular weight of 335.56 g/mol, XLogP of 3.13, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxysilyl-N,N-bis(1-ethoxyethyl)butan-1-amine is sourced from PubChem (CID 173014058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).