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Chemical ID: 6745892
Chemical ID:
6745892
Name [?]:
(2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-yl)-[(2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-yl)carbamoylmethyl]ammonium
SMILES [?]:
CC1(CC(CC([NH2+]1)(C)C)[NH2+]CC(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)C
InChi [?]:
InChI=1/C20H40N4O/c1-17(2)9-14(10-18(3,4)23-17)21-13-16(25)22-15-11-19(5,6)24-20(7,8)12-15/h14-15,21,23-24H,9-13H2,1-8H3,(H,22,25)/p+3
InChi Info:
AuxInfo=1/1/N:1,25,8,9,21,22,23,24,3,5,20,16,11,4,15,12,2,6,19,17,10,14,7,18,13/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(17,18)(19,20)/rA:25nCCCCCCN+CCN+CCONCCCN+CCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s19;s19;s17;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H43N4O+3 |
All Atoms: | 68 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -151.847 |
Area: | 591.948 |
Solvation: | -166.646 |
Coulombic: | 161.769 |
Bond Count [?]
All: | 26 |
Single: | 25 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 355.582 |
H-Bond Donors: | 7 |
H-Bond Acceptors: | 5 |
XLogP: | 2.82 |
LogP (Chemaxon): | -0.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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