7-ethoxysilyloxyheptan-2-amine

C9H23NO2Si — CID 123396575

IUPAC7-ethoxysilyloxyheptan-2-amine
SMILESCCO[SiH2]OCCCCCC(C)N
InChIInChI=1S/C9H23NO2Si/c1-3-11-13-12-8-6-4-5-7-9(2)10/h9H,3-8,10,13H2,1-2H3
InChIKeyPOMSIQDCECXJOF-UHFFFAOYSA-N
MW205.37 g/mol
LogP0.95
Rot. Bonds9

About 7-ethoxysilyloxyheptan-2-amine

7-ethoxysilyloxyheptan-2-amine (PubChem CID 123396575) has the molecular formula C9H23NO2Si and a molecular weight of 205.37 g/mol. Its IUPAC name is 7-ethoxysilyloxyheptan-2-amine.

Molecular Properties

Compound Name7-ethoxysilyloxyheptan-2-amine
PubChem CID123396575
Molecular FormulaC9H23NO2Si
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name7-ethoxysilyloxyheptan-2-amine
SMILESCCO[SiH2]OCCCCCC(C)N
InChIInChI=1S/C9H23NO2Si/c1-3-11-13-12-8-6-4-5-7-9(2)10/h9H,3-8,10,13H2,1-2H3
InChIKeyPOMSIQDCECXJOF-UHFFFAOYSA-N
XLogP0.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 50.95
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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Frequently Asked Questions

What is the IUPAC name of 7-ethoxysilyloxyheptan-2-amine?
The IUPAC name of 7-ethoxysilyloxyheptan-2-amine (CID 123396575) is 7-ethoxysilyloxyheptan-2-amine.
What is the SMILES notation for 7-ethoxysilyloxyheptan-2-amine?
The canonical SMILES for 7-ethoxysilyloxyheptan-2-amine is CCO[SiH2]OCCCCCC(C)N.
What is the InChIKey of 7-ethoxysilyloxyheptan-2-amine?
The InChIKey is POMSIQDCECXJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO2Si/c1-3-11-13-12-8-6-4-5-7-9(2)10/h9H,3-8,10,13H2,1-2H3.
What are the key properties of 7-ethoxysilyloxyheptan-2-amine?
7-ethoxysilyloxyheptan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxysilyloxyheptan-2-amine is sourced from PubChem (CID 123396575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).