ChemDB: Chemical Search
Download
Chemical ID: 7074569
Chemical ID:
7074569
Name [?]:
N-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-ylmethyl)-N-ethyl-ethanamine
SMILES [?]:
CCN(CC)Cc1cn2ccccc2n1
InChi [?]:
InChI=1/C12H17N3/c1-3-14(4-2)9-11-10-15-8-6-5-7-12(15)13-11/h5-8,10H,3-4,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,11,13,10,6,8,7,14,15,3,9/E:(1,2)(3,4)/rA:15nCCNCCCCCNCCCCCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;s9;d10;s11;d12;s9s13;s7d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N3 |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72875 |
Area: | 382.778 |
Solvation: | -1.84071 |
Coulombic: | -16.1887 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 203.284 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.6 |
LogP (Chemaxon): | 2.06 |
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 |
---|