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Chemical ID: 6924269
Chemical ID:
6924269
Name [?]:
N,N-bis(2-cyanoethyl)-2,2-dimethyl-butanamide
SMILES [?]:
CCC(C)(C)C(=O)N(CCC#N)CCC#N
InChi [?]:
InChI=1/C12H19N3O/c1-4-12(2,3)11(16)15(9-5-7-13)10-6-8-14/h4-6,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,5,2,10,14,11,15,9,13,6,3,12,16,8,7/E:(2,3)(5,6)(7,8)(9,10)(13,14)/rA:16nCCCCCCONCCCNCCCN/rB:s1;s2;s3;s3;s3;d6;s6;s8;s9;s10;t11;s8;s13;s14;t15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19N3O |
All Atoms: | 35 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.828 |
Area: | 437.033 |
Solvation: | -3.09782 |
Coulombic: | -20.5839 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 221.299 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.47 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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