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Chemical ID: 6747395
Chemical ID:
6747395
Name [?]:
(2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-yl)-[2-[(2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-yl)carbamoyl]ethyl]ammonium
SMILES [?]:
CC1(CC(CC([NH2+]1)(C)C)[NH2+]CCC(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)C
InChi [?]:
InChI=1/C21H42N4O/c1-18(2)11-15(12-19(3,4)24-18)22-10-9-17(26)23-16-13-20(5,6)25-21(7,8)14-16/h15-16,22,24-25H,9-14H2,1-8H3,(H,23,26)/p+3
InChi Info:
AuxInfo=1/1/N:1,26,8,9,22,23,24,25,12,11,3,5,21,17,4,16,13,2,6,20,18,10,15,7,19,14/E:(1,2,3,4)(5,6,7,8)(11,12)(13,14)(18,19)(20,21)/rA:26nCCCCCCN+CCN+CCCONCCCN+CCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s16s20;s20;s20;s18;s18;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H45N4O+3 |
All Atoms: | 71 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -147.563 |
Area: | 618.675 |
Solvation: | -163.03 |
Coulombic: | 157.129 |
Bond Count [?]
All: | 27 |
Single: | 26 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 369.608 |
H-Bond Donors: | 7 |
H-Bond Acceptors: | 5 |
XLogP: | 3.4 |
LogP (Chemaxon): | 0.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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