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Chemical ID: 5773630
Chemical ID:
5773630
Name [?]:
N-cycloheptyl-2-methyl-pentanamide
SMILES [?]:
CCCC(C)C(=O)NC1CCCCCC1
InChi [?]:
InChI=1/C13H25NO/c1-3-8-11(2)13(15)14-12-9-6-4-5-7-10-12/h11-12H,3-10H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,12,13,11,14,3,10,15,4,9,6,8,7/E:(4,5)(6,7)(9,10)/rA:15cCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;s10;s11;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.97959 |
Area: | 413.904 |
Solvation: | -1.368 |
Coulombic: | -22.6185 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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