Chemical ID: 7074569

CCN(CC)Cc1cn2ccccc2n1
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.

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