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Chemical ID: 6392132
Chemical ID:
6392132
Name [?]:
N,N'-ditert-butylhexanediamide
SMILES [?]:
CC(C)(C)NC(=O)CCCCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C14H28N2O2/c1-13(2,3)15-11(17)9-7-8-10-12(18)16-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,18,9,10,8,11,6,12,2,15,5,14,7,13/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/gE:(1,2)/rA:18nCCCCNCOCCCCCONCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s12;s14;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H28N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76319 |
Area: | 490.181 |
Solvation: | -2.49134 |
Coulombic: | -40.4343 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 256.384 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.19 |
LogP (Chemaxon): | 0.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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