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Chemical ID: 5152129
Chemical ID:
5152129
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(c3c(n2)CCC3)NCCCN(C)C
InChi [?]:
InChI=1/C18H25N3/c1-13-8-9-17-15(12-13)18(19-10-5-11-21(2)3)14-6-4-7-16(14)20-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,21,13,17,14,12,3,4,16,18,7,2,9,6,10,5,8,15,11,19/E:(2,3)/rA:21nCCCCCCCCCCNCCCNCCCNCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;s9s13;s8;s15;s16;s17;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25N3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5195 |
Area: | 503.076 |
Solvation: | -2.05736 |
Coulombic: | -22.0262 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 283.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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