Chemical ID: 6924269

CCC(C)(C)C(=O)N(CCC#N)CCC#N
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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Descriptor Annotations

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