ChemDB: Chemical Search
Download
Chemical ID: 6934903
Chemical ID:
6934903
Name [?]:
3,3-dimethyl-N-(3-pyridylmethyl)butanamide
SMILES [?]:
CC(C)(C)CC(=O)NCc1cccnc1
InChi [?]:
InChI=1/C12H18N2O/c1-12(2,3)7-11(15)14-9-10-5-4-6-13-8-10/h4-6,8H,7,9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,11,13,5,15,9,10,6,2,14,8,7/E:(1,2,3)/rA:15nCCCCCCONCCCCCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 33 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84747 |
Area: | 402.929 |
Solvation: | -2.22576 |
Coulombic: | -25.7021 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.1 |
LogP (Chemaxon): | 1.47 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|