N-(3-triethoxysilylpropyl)cyclohexanamine

C15H33NO3Si — CID 14121760

IUPACN-(3-triethoxysilylpropyl)cyclohexanamine
SMILESCCO[Si](CCCNC1CCCCC1)(OCC)OCC
InChIInChI=1S/C15H33NO3Si/c1-4-17-20(18-5-2,19-6-3)14-10-13-16-15-11-8-7-9-12-15/h15-16H,4-14H2,1-3H3
InChIKeyYFBFAHMPVMWKIM-UHFFFAOYSA-N
MW303.52 g/mol
LogP3.35
Rot. Bonds11

About N-(3-triethoxysilylpropyl)cyclohexanamine

N-(3-triethoxysilylpropyl)cyclohexanamine (PubChem CID 14121760) has the molecular formula C15H33NO3Si and a molecular weight of 303.52 g/mol. Its IUPAC name is N-(3-triethoxysilylpropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-triethoxysilylpropyl)cyclohexanamine
PubChem CID14121760
Molecular FormulaC15H33NO3Si
Molecular Weight303.52 g/mol
Exact Mass303.22
IUPAC NameN-(3-triethoxysilylpropyl)cyclohexanamine
SMILESCCO[Si](CCCNC1CCCCC1)(OCC)OCC
InChIInChI=1S/C15H33NO3Si/c1-4-17-20(18-5-2,19-6-3)14-10-13-16-15-11-8-7-9-12-15/h15-16H,4-14H2,1-3H3
InChIKeyYFBFAHMPVMWKIM-UHFFFAOYSA-N
XLogP3.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3-triethoxysilylpropyl)cyclohexanamine?
The IUPAC name of N-(3-triethoxysilylpropyl)cyclohexanamine (CID 14121760) is N-(3-triethoxysilylpropyl)cyclohexanamine.
What is the SMILES notation for N-(3-triethoxysilylpropyl)cyclohexanamine?
The canonical SMILES for N-(3-triethoxysilylpropyl)cyclohexanamine is CCO[Si](CCCNC1CCCCC1)(OCC)OCC.
What is the InChIKey of N-(3-triethoxysilylpropyl)cyclohexanamine?
The InChIKey is YFBFAHMPVMWKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3Si/c1-4-17-20(18-5-2,19-6-3)14-10-13-16-15-11-8-7-9-12-15/h15-16H,4-14H2,1-3H3.
What are the key properties of N-(3-triethoxysilylpropyl)cyclohexanamine?
N-(3-triethoxysilylpropyl)cyclohexanamine has a molecular weight of 303.52 g/mol, XLogP of 3.35, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-triethoxysilylpropyl)cyclohexanamine is sourced from PubChem (CID 14121760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).