Chemical ID: 6745892

CC1(CC(CC([NH2+]1)(C)C)[NH2+]CC(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue