N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine

C27H53N3Si — CID 123194590

IUPACN-benzyl-20-(2-silylhydrazinyl)icosan-1-amine
SMILES[SiH3]NNCCCCCCCCCCCCCCCCCCCCNCc1ccccc1
InChIInChI=1S/C27H53N3Si/c31-30-29-25-21-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-20-24-28-26-27-22-18-17-19-23-27/h17-19,22-23,28-30H,1-16,20-21,24-26H2,31H3
InChIKeyAOKZKQVHOZQOIO-UHFFFAOYSA-N
MW447.83 g/mol
LogP6.17
Rot. Bonds24

About N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine

N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine (PubChem CID 123194590) has the molecular formula C27H53N3Si and a molecular weight of 447.83 g/mol. Its IUPAC name is N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine.

Molecular Properties

Compound NameN-benzyl-20-(2-silylhydrazinyl)icosan-1-amine
PubChem CID123194590
Molecular FormulaC27H53N3Si
Molecular Weight447.83 g/mol
Exact Mass447.40
IUPAC NameN-benzyl-20-(2-silylhydrazinyl)icosan-1-amine
SMILES[SiH3]NNCCCCCCCCCCCCCCCCCCCCNCc1ccccc1
InChIInChI=1S/C27H53N3Si/c31-30-29-25-21-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-20-24-28-26-27-22-18-17-19-23-27/h17-19,22-23,28-30H,1-16,20-21,24-26H2,31H3
InChIKeyAOKZKQVHOZQOIO-UHFFFAOYSA-N
XLogP6.17
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.83
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine?
The IUPAC name of N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine (CID 123194590) is N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine.
What is the SMILES notation for N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine?
The canonical SMILES for N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine is [SiH3]NNCCCCCCCCCCCCCCCCCCCCNCc1ccccc1.
What is the InChIKey of N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine?
The InChIKey is AOKZKQVHOZQOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53N3Si/c31-30-29-25-21-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-20-24-28-26-27-22-18-17-19-23-27/h17-19,22-23,28-30H,1-16,20-21,24-26H2,31H3.
What are the key properties of N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine?
N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine has a molecular weight of 447.83 g/mol, XLogP of 6.17, 24 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-20-(2-silylhydrazinyl)icosan-1-amine is sourced from PubChem (CID 123194590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).