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Chemical ID: 7104642
Chemical ID:
7104642
Name [?]:
N-(o-tolylmethyl)adamantan-2-amine
SMILES [?]:
Cc1ccccc1CNC2C3CC4CC(C3)CC2C4
InChi [?]:
InChI=1/C18H25N/c1-12-4-2-3-5-15(12)11-19-18-16-7-13-6-14(9-16)10-17(18)8-13/h2-5,13-14,16-19H,6-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,14,12,19,16,17,8,2,13,15,7,11,18,10,9/E:(7,8,9,10)(13,14)(16,17)/rA:19nCCCCCCCCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s15;s10s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25N |
All Atoms: | 44 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8645 |
Area: | 433.314 |
Solvation: | -0.968347 |
Coulombic: | -11.4485 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 255.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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