(E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine

C20H19N — CID 101129533

IUPAC(E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine
SMILESC(=C/c1cccc2ccccc12)\CNCc1ccccc1
InChIInChI=1S/C20H19N/c1-2-8-17(9-3-1)16-21-15-7-13-19-12-6-11-18-10-4-5-14-20(18)19/h1-14,21H,15-16H2/b13-7+
InChIKeyYVEOPDCFMHCCLD-NTUHNPAUSA-N
MW273.38 g/mol
LogP4.64
Rot. Bonds5

About (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine

(E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine (PubChem CID 101129533) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine
PubChem CID101129533
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name(E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine
SMILESC(=C/c1cccc2ccccc12)\CNCc1ccccc1
InChIInChI=1S/C20H19N/c1-2-8-17(9-3-1)16-21-15-7-13-19-12-6-11-18-10-4-5-14-20(18)19/h1-14,21H,15-16H2/b13-7+
InChIKeyYVEOPDCFMHCCLD-NTUHNPAUSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine?
The IUPAC name of (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine (CID 101129533) is (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine?
The canonical SMILES for (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine is C(=C/c1cccc2ccccc12)\CNCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine?
The InChIKey is YVEOPDCFMHCCLD-NTUHNPAUSA-N. The full InChI is InChI=1S/C20H19N/c1-2-8-17(9-3-1)16-21-15-7-13-19-12-6-11-18-10-4-5-14-20(18)19/h1-14,21H,15-16H2/b13-7+.
What are the key properties of (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine?
(E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine has a molecular weight of 273.38 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-naphthalen-1-ylprop-2-en-1-amine is sourced from PubChem (CID 101129533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).