Structure Database (LMSD)
Common Name
N-isobutyl-2E,4Z-octadecadienoyl amine
Systematic Name
N-isobutyl-2E,4Z-octadecadienoyl amine
Synonyms
- Pipericine
3D model of N-isobutyl-2E,4Z-octadecadienoyl amine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
QQCGKIZHTJLRNN-JUJVUSMPSA-N
InChi (Click to copy)
InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16-,19-18+
SMILES (Click to copy)
C(/C=C/C=C\CCCCCCCCCCCCC)(=O)NCC(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
401.03
Topological Polar Surface Area
29.1
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.86
Molar Refractivity
107.7
Admin
Created at
-
Updated at
16th Feb 2024