Chemical ID: 4957939

C[N+]1(CCC(CC1)CCCCCCCCC2CC[N+](CC2)(C)C)C
Chemical ID:
4957939
Name [?]:
4-[8-(1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)octyl]-1,1-dimethyl-3,4,5,6-tetrahydro-2H-pyridine
SMILES [?]:
C[N+]1(CCC(CC1)CCCCCCCCC2CC[N+](CC2)(C)C)C
InChi [?]:
InChI=1/C22H46N2/c1-23(2)17-13-21(14-18-23)11-9-7-5-6-8-10-12-22-15-19-24(3,4)20-16-22/h21-22H,5-20H2,1-4H3/q+2
InChi Info:
AuxInfo=1/0/N:1,24,22,23,11,12,10,13,9,14,8,15,4,6,17,21,3,7,18,20,5,16,2,19/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16)(17,18,19,20)(21,22)(23,24)/CRV:23+1,24+1/rA:24nCN+CCCCCCCCCCCCCCCCN+CCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;s19;s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H46N2+2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-49.9186
Area:616.433
Solvation:-65.3294
Coulombic:54.5057
Bond Count [?]
All:25
Single:25
Double:0
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:338.614
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.4
LogP (Chemaxon):-4.86

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