ChemDB: Chemical Search
Download
Chemical ID: 7121815
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|