Chemical ID: 3964557

C[N+]1(CCN(CC1)c2ccccc2)C
Chemical ID:
3964557
Name [?]:
1,1-dimethyl-4-phenyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
C[N+]1(CCN(CC1)c2ccccc2)C
InChi [?]:
InChI=1/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,14,11,10,12,9,13,4,6,3,7,8,5,2/E:(1,2)(4,5)(6,7)(8,9)(10,11)/CRV:14+1/rA:14nCN+CCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s2;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19N2+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-19.9243
Area:357.649
Solvation:-28.8655
Coulombic:16.7586
Bond Count [?]
All:15
Single:12
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:191.293
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.6
LogP (Chemaxon):-2.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue