Chemical ID: 6924273

CC(C)CC(=O)N(CCC#N)CCC#N
Chemical ID:
6924273
Name [?]:
N,N-bis(2-cyanoethyl)-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)N(CCC#N)CCC#N
InChi [?]:
InChI=1/C11H17N3O/c1-10(2)9-11(15)14(7-3-5-12)8-4-6-13/h10H,3-4,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,13,10,14,8,12,4,2,5,11,15,7,6/E:(1,2)(3,4)(5,6)(7,8)(12,13)/rA:15nCCCCCONCCCNCCCN/rB:s1;s2;s2;s4;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:0
ZAP Information [?]
Total:7.776
Area:439.418
Solvation:-3.20946
Coulombic:-19.6412
Bond Count [?]
All:14
Single:11
Double:1
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:207.272
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.48
LogP (Chemaxon):0.94

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Descriptor Annotations

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