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Chemical ID: 6359979
Chemical ID:
6359979
Name [?]:
1-adamantyl-(3,5-dimethyl-1-piperidyl)-methanone
SMILES [?]:
CC1CC(CN(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C
InChi [?]:
InChI=1/C18H29NO/c1-12-3-13(2)11-19(10-12)17(20)18-7-14-4-15(8-18)6-16(5-14)9-18/h12-16H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,3,13,16,18,15,11,19,7,5,2,4,14,12,17,8,10,6,9/E:(1,2)(4,5,6)(7,8,9)(10,11)(12,13)(14,15,16)/rA:20cCCCCCNCCOCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;s11;s12;s13;s10s14;s14;s16;s12s17;s10s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.5619 |
Area: | 437.645 |
Solvation: | -1.37922 |
Coulombic: | -18.3906 |
Bond Count [?]
All: | 23 |
Single: | 22 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.429 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.27 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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