Chemical ID: 5703842

Cc1ccc2c(c1)C(CC3([NH2+]2)CCCCC3)C
Chemical ID:
5703842
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)C(CC3([NH2+]2)CCCCC3)C
InChi [?]:
InChI=1/C16H23N/c1-12-6-7-15-14(10-12)13(2)11-16(17-15)8-4-3-5-9-16/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,17,14,13,15,3,4,12,16,7,9,2,8,6,5,10,11/E:(4,5)(8,9)/rA:17cCCCCCCCCCCN+CCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s5s10;s10;s12;s13;s14;s10s15;s8;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N+
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:-19.4451
Area:398.398
Solvation:-29.405
Coulombic:31.3259
Bond Count [?]
All:19
Single:16
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:230.368
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.64
LogP (Chemaxon):4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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