ChemDB: Chemical Search
Download
Chemical ID: 3861757
Chemical ID:
3861757
Name [?]:
N-cyclopentyl-8-(p-tolyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1ccc(cc1)c2c(n3ccccc3n2)NC4CCCC4
InChi [?]:
InChI=1/C19H21N3/c1-14-9-11-15(12-10-14)18-19(20-16-6-2-3-7-16)22-13-5-4-8-17(22)21-18/h4-5,8-13,16,20H,2-3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,13,12,19,22,14,3,7,4,6,11,2,5,18,15,8,9,17,16,10/E:(2,3)(6,7)(9,10)(11,12)/rA:22nCCCCCCCCCNCCCCCNNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s9;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5809 |
Area: | 485.861 |
Solvation: | -1.56563 |
Coulombic: | -26.067 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 291.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.6 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|