Chemical ID: 6747395

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

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Descriptor Annotations

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