Chemical ID: 4514322

Cc1ccc2c(c1)c3c4n2CC[NH2+]C4CCC3
Chemical ID:
4514322
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c4n2CC[NH2+]C4CCC3
InChi [?]:
InChI=1/C15H18N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9,13,16H,2-4,7-8H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,16,17,15,3,4,12,11,7,2,8,6,14,5,9,13,10/rA:17cCCCCCCCCCNCCN+CCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s10;s11;s12;s9s13;s14;s15;s8s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N2+
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:-23.7844
Area:385.348
Solvation:-33.4181
Coulombic:27.9347
Bond Count [?]
All:20
Single:16
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:227.325
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.81
LogP (Chemaxon):3.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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