Chemical ID: 7121815

CC1CC(C[NH+](C1)C2CC[NH+](CC2)Cc3ccccn3)C
Chemical ID:
7121815
Name [?]:
2-[[4-(3,5-dimethyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)-3,4,5,6-tetrahydro-2H-pyridin-1-yl]methyl]pyridine
SMILES [?]:
CC1CC(C[NH+](C1)C2CC[NH+](CC2)Cc3ccccn3)C
InChi [?]:
InChI=1/C18H29N3/c1-15-11-16(2)13-21(12-15)18-6-9-20(10-7-18)14-17-5-3-4-8-19-17/h3-5,8,15-16,18H,6-7,9-14H2,1-2H3/p+2
InChi Info:
AuxInfo=1/1/N:1,21,17,18,16,9,13,19,10,12,3,7,5,14,2,4,15,8,20,11,6/E:(1,2)(6,7)(9,10)(12,13)(15,16)/rA:21cCCCCCN+CCCCN+CCCCCCCCNC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31N3+2
All Atoms:52
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:-79.6597
Area:498.579
Solvation:-92.1242
Coulombic:89.1183
Bond Count [?]
All:23
Single:20
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:289.459
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.46
LogP (Chemaxon):2.28

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Descriptor Annotations

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