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Chemical ID: 7104658
Chemical ID:
7104658
Name [?]:
3,5-dimethyl-N-(o-tolylmethyl)adamantan-1-amine
SMILES [?]:
Cc1ccccc1CNC23CC4CC(C2)(CC(C4)(C3)C)C
InChi [?]:
InChI=1/C20H29N/c1-15-6-4-5-7-17(15)11-21-20-10-16-8-18(2,13-20)12-19(3,9-16)14-20/h4-7,16,21H,8-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,21,4,5,3,6,18,13,11,8,16,19,15,2,12,7,17,14,10,9/E:(2,3)(8,9)(13,14)(18,19)/rA:21cCCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s14;s16;s12s17;s10s17;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H29N |
All Atoms: | 50 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.5795 |
Area: | 464.433 |
Solvation: | -1.03129 |
Coulombic: | -11.8885 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 283.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.06 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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