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Chemical ID: 6935141
Chemical ID:
6935141
Name [?]:
2-methyl-N-(2-methylcyclohexyl)-pentanamide
SMILES [?]:
CCCC(C)C(=O)NC1CCCCC1C
InChi [?]:
InChI=1/C13H25NO/c1-4-7-11(3)13(15)14-12-9-6-5-8-10(12)2/h10-12H,4-9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,5,2,12,11,3,13,10,14,4,9,6,8,7/rA:15cCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;s10;s11;s12;s9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO |
All Atoms: | 40 |
Heavy Atoms: | 15 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.04643 |
Area: | 415.476 |
Solvation: | -1.34047 |
Coulombic: | -22.6741 |
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: | 3.52 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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