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Chemical ID: 5251137
Chemical ID:
5251137
Name [?]:
N,2-diisopropyl-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)C(C(=O)NC(C)C)C(C)(C)C
InChi [?]:
InChI=1/C12H25NO/c1-8(2)10(12(5,6)7)11(14)13-9(3)4/h8-10H,1-7H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,9,10,12,13,14,2,8,4,5,11,7,6/E:(1,2)(3,4)(5,6,7)/rA:14cCCCCCONCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s8;s4;s11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H25NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.32521 |
Area: | 381.556 |
Solvation: | -1.21368 |
Coulombic: | -22.671 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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