Chemical ID: 7106946

CC(C12CC3CC(C1)CC(C3)C2)NCc4cccc5c4cccc5
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

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Descriptor Annotations

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