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Chemical ID: 6548525
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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