4-diethoxysilyloctan-1-amine

C12H29NO2Si — CID 173012099

IUPAC4-diethoxysilyloctan-1-amine
SMILESCCCCC(CCCN)[SiH](OCC)OCC
InChIInChI=1S/C12H29NO2Si/c1-4-7-9-12(10-8-11-13)16(14-5-2)15-6-3/h12,16H,4-11,13H2,1-3H3
InChIKeyXAWNWJZTMWDRBB-UHFFFAOYSA-N
MW247.45 g/mol
LogP2.58
Rot. Bonds11

About 4-diethoxysilyloctan-1-amine

4-diethoxysilyloctan-1-amine (PubChem CID 173012099) has the molecular formula C12H29NO2Si and a molecular weight of 247.45 g/mol. Its IUPAC name is 4-diethoxysilyloctan-1-amine.

Molecular Properties

Compound Name4-diethoxysilyloctan-1-amine
PubChem CID173012099
Molecular FormulaC12H29NO2Si
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name4-diethoxysilyloctan-1-amine
SMILESCCCCC(CCCN)[SiH](OCC)OCC
InChIInChI=1S/C12H29NO2Si/c1-4-7-9-12(10-8-11-13)16(14-5-2)15-6-3/h12,16H,4-11,13H2,1-3H3
InChIKeyXAWNWJZTMWDRBB-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-diethoxysilylheptan-1-amine
CID 154490581
4-diethoxysilylheptane-1-thiol
CID 173009934
3-aminopropyl(tributyl)phosphanium;hydrobromide
CID 175805466
4-propan-2-yloctan-1-amine
CID 126657786
ethane-1,2-diamine;triethoxysilane
CID 175110437
3-[3-aminopropyl(ethoxy)silyl]propan-1-amine
CID 175017432
1-aminopentadecan-4-ol
CID 151480186
hexadecane;triethoxysilane
CID 164978259
butan-1-amine;propan-2-ol
CID 174667581
4,4-dibutoxybutan-1-amine
CID 173191974
4-hexylundecan-1-amine
CID 167174040
4-heptylundecan-1-amine
CID 146490531

Frequently Asked Questions

What is the IUPAC name of 4-diethoxysilyloctan-1-amine?
The IUPAC name of 4-diethoxysilyloctan-1-amine (CID 173012099) is 4-diethoxysilyloctan-1-amine.
What is the SMILES notation for 4-diethoxysilyloctan-1-amine?
The canonical SMILES for 4-diethoxysilyloctan-1-amine is CCCCC(CCCN)[SiH](OCC)OCC.
What is the InChIKey of 4-diethoxysilyloctan-1-amine?
The InChIKey is XAWNWJZTMWDRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2Si/c1-4-7-9-12(10-8-11-13)16(14-5-2)15-6-3/h12,16H,4-11,13H2,1-3H3.
What are the key properties of 4-diethoxysilyloctan-1-amine?
4-diethoxysilyloctan-1-amine has a molecular weight of 247.45 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxysilyloctan-1-amine is sourced from PubChem (CID 173012099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).