Chemical ID: 5607218

CCN(CC)CCCCNc1ccnc2c1cc3ccccc3c2
Chemical ID:
5607218
Name [?]:
None
SMILES [?]:
CCN(CC)CCCCNc1ccnc2c1cc3ccccc3c2
InChi [?]:
InChI=1/C21H27N3/c1-3-24(4-2)14-8-7-12-22-20-11-13-23-21-16-18-10-6-5-9-17(18)15-19(20)21/h5-6,9-11,13,15-16H,3-4,7-8,12,14H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,20,21,8,7,19,22,12,9,13,6,17,24,18,23,16,11,15,10,14,3/E:(1,2)(3,4)/rA:24nCCNCCCCCCNCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;d19;s20;d21;s18s22;s15d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.1844
Area:575.078
Solvation:-2.19255
Coulombic:-23.7202
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:321.459
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.45
LogP (Chemaxon):3.88

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Descriptor Annotations

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