Chemical ID: 7104658

Cc1ccccc1CNC23CC4CC(C2)(CC(C4)(C3)C)C
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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