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Chemical ID: 5251131
Chemical ID:
5251131
Name [?]:
N,2-diisopropyl-3-methyl-butanamide
SMILES [?]:
CC(C)C(C(C)C)C(=O)NC(C)C
InChi [?]:
InChI=1/C11H23NO/c1-7(2)10(8(3)4)11(13)12-9(5)6/h7-10H,1-6H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,12,13,2,5,11,4,8,10,9/E:(1,2,3,4)(5,6)(7,8)/rA:13nCCCCCCCCONCCC/rB:s1;s2;s2;s4;s5;s5;s4;d8;s8;s10;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H23NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05946 |
Area: | 374.042 |
Solvation: | -1.2916 |
Coulombic: | -22.401 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 185.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.29 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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