ChemDB: Chemical Search
Download
Chemical ID: 3918349
Chemical ID:
3918349
Name [?]:
8-(4-dimethylaminophenyl)-N-tert-butyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)(C)Nc1c(nc2n1cccc2)c3ccc(cc3)N(C)C
InChi [?]:
InChI=1/C19H24N4/c1-19(2,3)21-18-17(20-16-8-6-7-13-23(16)18)14-9-11-15(12-10-14)22(4)5/h6-13,21H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,22,23,13,12,14,16,20,17,19,11,15,18,9,7,6,2,8,5,21,10/E:(1,2,3)(4,5)(9,10)(11,12)/rA:23nCCCCNCCNCNCCCCCCCCCCNCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;s6s9;s10;d11;s12;s9d13;s7;s15;d16;s17;d18;d15s19;s18;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1706 |
Area: | 496.97 |
Solvation: | -2.25369 |
Coulombic: | -30.9429 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.421 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.04 |
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 |
---|