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Chemical ID: 6494722
Chemical ID:
6494722
Name [?]:
None
SMILES [?]:
C[NH+](C)CCCN1c2ccccc2CCc3c1cccc3
InChi [?]:
InChI=1/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,11,20,10,19,5,12,21,9,18,14,15,4,6,13,16,8,17,2,7/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(16,17)(18,19)/rA:21nCN+CCCCNCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s7s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N2+ |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.1299 |
Area: | 485.102 |
Solvation: | -32.2575 |
Coulombic: | 21.147 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.415 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.03 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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