N-diethoxysilylpentan-3-amine

C9H23NO2Si — CID 174620247

IUPACN-diethoxysilylpentan-3-amine
SMILESCCO[SiH](NC(CC)CC)OCC
InChIInChI=1S/C9H23NO2Si/c1-5-9(6-2)10-13(11-7-3)12-8-4/h9-10,13H,5-8H2,1-4H3
InChIKeyHKADWKVFHYYEMR-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.55
Rot. Bonds8

About N-diethoxysilylpentan-3-amine

N-diethoxysilylpentan-3-amine (PubChem CID 174620247) has the molecular formula C9H23NO2Si and a molecular weight of 205.37 g/mol. Its IUPAC name is N-diethoxysilylpentan-3-amine.

Molecular Properties

Compound NameN-diethoxysilylpentan-3-amine
PubChem CID174620247
Molecular FormulaC9H23NO2Si
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC NameN-diethoxysilylpentan-3-amine
SMILESCCO[SiH](NC(CC)CC)OCC
InChIInChI=1S/C9H23NO2Si/c1-5-9(6-2)10-13(11-7-3)12-8-4/h9-10,13H,5-8H2,1-4H3
InChIKeyHKADWKVFHYYEMR-UHFFFAOYSA-N
XLogP1.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diethoxysilylpentan-3-amine?
The IUPAC name of N-diethoxysilylpentan-3-amine (CID 174620247) is N-diethoxysilylpentan-3-amine.
What is the SMILES notation for N-diethoxysilylpentan-3-amine?
The canonical SMILES for N-diethoxysilylpentan-3-amine is CCO[SiH](NC(CC)CC)OCC.
What is the InChIKey of N-diethoxysilylpentan-3-amine?
The InChIKey is HKADWKVFHYYEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO2Si/c1-5-9(6-2)10-13(11-7-3)12-8-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-diethoxysilylpentan-3-amine?
N-diethoxysilylpentan-3-amine has a molecular weight of 205.37 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxysilylpentan-3-amine is sourced from PubChem (CID 174620247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).