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Chemical ID: 5248017
Chemical ID:
5248017
Name [?]:
3,3-diethyl-3,6-diazoniaspiro[5.7]tridecane
SMILES [?]:
CC[N+]1(CC[N+]2(CCCCCCC2)CC1)CC
InChi [?]:
InChI=1/C15H32N2/c1-3-16(4-2)12-14-17(15-13-16)10-8-6-5-7-9-11-17/h3-15H2,1-2H3/q+2
InChi Info:
AuxInfo=1/0/N:1,17,2,16,10,9,11,8,12,7,13,4,15,5,14,3,6/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)/CRV:16+1,17+1/rA:17nCCN+CCN+CCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s6s12;s6;s3s14;s3;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H32N2+2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -82.0229 |
Area: | 395.567 |
Solvation: | -91.9121 |
Coulombic: | 95.633 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 240.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | -0.2 |
LogP (Chemaxon): | -6.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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