Chemical ID: 6924281

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

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Descriptor Annotations

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