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Chemical ID: 7107421
Chemical ID:
7107421
Name [?]:
3,5-dimethyl-N-(1-naphthylmethyl)adamantan-1-amine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)NCc4cccc5c4cccc5)C
InChi [?]:
InChI=1/C23H29N/c1-21-10-17-11-22(2,14-21)16-23(12-17,15-21)24-13-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,17,24H,10-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,22,21,16,23,17,15,20,3,5,10,13,7,11,8,4,18,14,19,2,6,9,12/E:(1,2)(10,11)(15,16)(21,22)/rA:24cCCCCCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H29N |
All Atoms: | 53 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.3442 |
Area: | 501.995 |
Solvation: | -1.20564 |
Coulombic: | -12.8391 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 319.483 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.89 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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