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Chemical ID: 5115743
Chemical ID:
5115743
Name [?]:
4-amino-N-[6-[6-(4-aminobutanoylamino)hexylamino]hexyl]butanamide
SMILES [?]:
C(CCCNC(=O)CCCN)CCNCCCCCCNC(=O)CCCN
InChi [?]:
InChI=1/C20H43N5O2/c21-13-9-11-19(26)24-17-7-3-1-5-15-23-16-6-2-4-8-18-25-20(27)12-10-14-22/h23H,1-18,21-22H2,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,17,2,18,12,16,3,19,9,25,8,24,10,26,13,15,4,20,6,22,11,27,14,5,21,7,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(24,25)(26,27)/gE:(1,2)/rA:27nCCCCNCOCCCNCCNCCCCCCNCOCCCN/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s1;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s22;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H43N5O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.6999 |
Area: | 773.086 |
Solvation: | -4.62724 |
Coulombic: | -73.6143 |
Bond Count [?]
All: | 26 |
Single: | 24 |
Double: | 2 |
Rotors: | 22 |
Chiral: | 0 |
Rigid Segments: | 13 |
Chemical Properties
Molecular Weight: | 385.588 |
H-Bond Donors: | 7 |
H-Bond Acceptors: | 7 |
XLogP: | 0.51 |
LogP (Chemaxon): | -0.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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