3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine

C18H43NO2Si2 — CID 157340694

IUPAC3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine
SMILESCCO[SiH2]C(CC)(CC)CCNCCC(CC)(CC)[SiH2]OCC
InChIInChI=1S/C18H43NO2Si2/c1-7-17(8-2,22-20-11-5)13-15-19-16-14-18(9-3,10-4)23-21-12-6/h19H,7-16,22-23H2,1-6H3
InChIKeyBGIYHJYKGYRQDE-UHFFFAOYSA-N
MW361.72 g/mol
LogP3.55
Rot. Bonds16

About 3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine

3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine (PubChem CID 157340694) has the molecular formula C18H43NO2Si2 and a molecular weight of 361.72 g/mol. Its IUPAC name is 3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine
PubChem CID157340694
Molecular FormulaC18H43NO2Si2
Molecular Weight361.72 g/mol
Exact Mass361.28
IUPAC Name3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine
SMILESCCO[SiH2]C(CC)(CC)CCNCCC(CC)(CC)[SiH2]OCC
InChIInChI=1S/C18H43NO2Si2/c1-7-17(8-2,22-20-11-5)13-15-19-16-14-18(9-3,10-4)23-21-12-6/h19H,7-16,22-23H2,1-6H3
InChIKeyBGIYHJYKGYRQDE-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxysilyl-N-(3-ethoxysilyl-3-methylbutyl)-3-methylbutan-1-amine
CID 154087119
ethoxy(2-methylbutan-2-yl)silane
CID 123886977
N-(3,3-dimethylbutyl)-3,3-dimethylpentan-1-amine
CID 170291391
[4-(disulfanyl)-2-methylbutan-2-yl]-ethoxysilane
CID 151651350
3-ethoxysilyl-3-methylbutane-1-thiol
CID 154092584
1,1-diethoxyethyl(ethoxy)silane
CID 164998800
ethoxy(2-methylnonadecan-2-yl)silane
CID 173228769
N-butyl-4-ethoxy-3,3-dimethylbutan-1-amine
CID 143711406
2,3-dimethylbutan-2-yl(ethoxy)silane
CID 123706979
N,N'-bis(3-methoxysilyl-3-methylbutyl)nonane-1,9-diamine
CID 154206629
N-(3,3,3-triethoxypropyl)undecan-1-amine
CID 159840900
10,10,10-triethoxy-N-(10,10,10-triethoxydecyl)decan-1-amine
CID 150717186

Frequently Asked Questions

What is the IUPAC name of 3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine?
The IUPAC name of 3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine (CID 157340694) is 3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine.
What is the SMILES notation for 3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine?
The canonical SMILES for 3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine is CCO[SiH2]C(CC)(CC)CCNCCC(CC)(CC)[SiH2]OCC.
What is the InChIKey of 3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine?
The InChIKey is BGIYHJYKGYRQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H43NO2Si2/c1-7-17(8-2,22-20-11-5)13-15-19-16-14-18(9-3,10-4)23-21-12-6/h19H,7-16,22-23H2,1-6H3.
What are the key properties of 3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine?
3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine has a molecular weight of 361.72 g/mol, XLogP of 3.55, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxysilyl-N-(3-ethoxysilyl-3-ethylpentyl)-3-ethylpentan-1-amine is sourced from PubChem (CID 157340694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).