Chemical ID: 4583330

c1ccnc(c1)CN2C3(CCCCC3CC4C2(CCCC4)C#N)C#N
Chemical ID:
4583330
Name [?]:
10-(2-pyridylmethyl)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile
SMILES [?]:
c1ccnc(c1)CN2C3(CCCCC3CC4C2(CCCC4)C#N)C#N
InChi [?]:
InChI=1/C21H26N4/c22-15-20-10-4-1-7-17(20)13-18-8-2-5-11-21(18,16-23)25(20)14-19-9-3-6-12-24-19/h3,6,9,12,17-18H,1-2,4-5,7-8,10-11,13-14H2
InChi Info:
AuxInfo=1/0/N:12,20,1,11,19,2,13,21,6,10,18,3,15,7,24,22,14,16,5,9,17,25,23,4,8/E:(1,2)(4,5)(7,8)(10,11)(15,16)(17,18)(20,21)(22,23)/rA:25cCCCNCCCNCCCCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s14;s15;s8s16;s17;s18;s19;s16s20;s17;t22;s9;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:9.87691
Area:484.157
Solvation:-2.22701
Coulombic:-19.4758
Bond Count [?]
All:28
Single:23
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:334.458
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.65
LogP (Chemaxon):3.58

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