Chemical ID: 6548525

C1CCc2nnc(n2CC1)C34CC5CC(C3)CC(C5)C4
Chemical ID:
6548525
Name [?]:
8-(1-adamantyl)-7,9,10-triazabicyclo[5.3.0]deca-8,10-diene
SMILES [?]:
C1CCc2nnc(n2CC1)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2
InChi Info:
AuxInfo=1/0/N:1,2,10,3,9,14,17,19,16,12,20,15,13,18,4,7,11,5,6,8/E:(6,7,8)(9,10,11)(12,13,14)/rA:20nCCCCNNCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s1s9;s7;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.11957
Area:416.92
Solvation:-1.30342
Coulombic:-11.6087
Bond Count [?]
All:24
Single:22
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:271.401
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.48
LogP (Chemaxon):2.7

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Descriptor Annotations

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