Chemical ID: 7104642

Cc1ccccc1CNC2C3CC4CC(C3)CC2C4
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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