Chemical ID: 7109436

CC(C12CC3CC(C1)CC(C3)C2)NCc4ccccn4
Chemical ID:
7109436
Name [?]:
1-(1-adamantyl)-N-(2-pyridylmethyl)ethanamine
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NCc4ccccn4
InChi [?]:
InChI=1/C18H26N2/c1-13(20-12-17-4-2-3-5-19-17)18-9-14-6-15(10-18)8-16(7-14)11-18/h2-5,13-16,20H,6-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,19,6,9,11,8,4,12,14,2,7,5,10,15,3,20,13/E:(6,7,8)(9,10,11)(14,15,16)/rA:20cCCCCCCCCCCCCNCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26N2
All Atoms:46
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.8746
Area:454.496
Solvation:-1.4878
Coulombic:-15.3856
Bond Count [?]
All:23
Single:20
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.413
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.51
LogP (Chemaxon):3.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue