ChemDB: Chemical Search
Download
Chemical ID: 6924281
Chemical ID:
6924281
Name [?]:
N,N-bis(2-cyanoethyl)-2-methyl-butanamide
SMILES [?]:
CCC(C)C(=O)N(CCC#N)CCC#N
InChi [?]:
InChI=1/C11H17N3O/c1-3-10(2)11(15)14(8-4-6-12)9-5-7-13/h10H,3-5,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,9,13,10,14,8,12,3,5,11,15,7,6/E:(4,5)(6,7)(8,9)(12,13)/rA:15cCCCCCONCCCNCCCN/rB:s1;s2;s3;s3;d5;s5;s7;s8;s9;t10;s7;s12;s13;t14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.6594 |
Area: | 431.527 |
Solvation: | -3.12877 |
Coulombic: | -19.997 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 207.272 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.27 |
LogP (Chemaxon): | 1.17 |
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 |
---|