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Chemical ID: 7106946
Chemical ID:
7106946
Name [?]:
1-(1-adamantyl)-N-(1-naphthylmethyl)ethanamine
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NCc4cccc5c4cccc5
InChi [?]:
InChI=1/C23H29N/c1-16(23-12-17-9-18(13-23)11-19(10-17)14-23)24-15-21-7-4-6-20-5-2-3-8-22(20)21/h2-8,16-19,24H,9-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,17,24,18,16,21,6,9,11,8,4,12,14,2,7,5,10,19,15,20,3,13/E:(9,10,11)(12,13,14)(17,18,19)/rA:24cCCCCCCCCCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N |
All Atoms: | 53 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3785 |
Area: | 501.675 |
Solvation: | -1.16338 |
Coulombic: | -12.8797 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 319.483 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.94 |
LogP (Chemaxon): | 5.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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