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Chemical ID: 6655690
Chemical ID:
6655690
Name [?]:
N-(2-adamantylmethyl)-N-methyl-methanamine
SMILES [?]:
CN(C)CC1C2CC3CC(C2)CC1C3
InChi [?]:
InChI=1/C13H23N/c1-14(2)8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,7,14,11,12,4,8,10,6,13,5,2/E:(1,2)(4,5,6,7)(9,10)(11,12)/rA:14nCNCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s6s10;s10;s5s12;s8s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H23N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.10245 |
Area: | 350.027 |
Solvation: | -0.648216 |
Coulombic: | -6.45249 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 193.328 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.86 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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