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Chemical ID: 5820185
Chemical ID:
5820185
Name [?]:
N-(1-adamantyl)adamantan-2-amine
SMILES [?]:
C1C2CC3CC1CC(C2)C3NC45CC6CC(C4)CC(C6)C5
InChi [?]:
InChI=1/C20H31N/c1-12-5-17-7-13(1)8-18(6-12)19(17)21-20-9-14-2-15(10-20)4-16(3-14)11-20/h12-19,21H,1-11H2
InChi Info:
AuxInfo=1/0/N:1,15,18,20,3,9,5,7,17,13,21,2,6,16,14,19,4,8,10,12,11/E:(2,3,4)(5,6,7,8)(9,10,11)(12,13)(14,15,16)(17,18)/rA:21nCCCCCCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s1s5;s6;s7;s2s8;s4s8;s10;s11;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H31N |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2214 |
Area: | 427.586 |
Solvation: | -0.46823 |
Coulombic: | -11.0416 |
Bond Count [?]
All: | 26 |
Single: | 26 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 285.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.46 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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