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Chemical ID: 6934911
Chemical ID:
6934911
Name [?]:
N-cycloheptyl-2,2-dimethyl-butanamide
SMILES [?]:
CCC(C)(C)C(=O)NC1CCCCCC1
InChi [?]:
InChI=1/C13H25NO/c1-4-13(2,3)12(15)14-11-9-7-5-6-8-10-11/h11H,4-10H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,12,13,11,14,10,15,9,6,3,8,7/E:(2,3)(5,6)(7,8)(9,10)/rA:15nCCCCCCONCCCCCCC/rB:s1;s2;s3;s3;s3;d6;s6;s8;s9;s10;s11;s12;s13;s9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO |
All Atoms: | 40 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70725 |
Area: | 401.029 |
Solvation: | -1.31849 |
Coulombic: | -22.9252 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.344 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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