Chemical ID: 5152129

Cc1ccc2c(c1)c(c3c(n2)CCC3)NCCCN(C)C
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

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Descriptor Annotations

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