Chemical ID: 7288431

c1ccc(cc1)CCNC2C3CC4CC(C3)CC2C4
Chemical ID:
7288431
Name [?]:
N-phenethyladamantan-2-amine
SMILES [?]:
c1ccc(cc1)CCNC2C3CC4CC(C3)CC2C4
InChi [?]:
InChI=1/C18H25N/c1-2-4-13(5-3-1)6-7-19-18-16-9-14-8-15(11-16)12-17(18)10-14/h1-5,14-19H,6-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,8,14,12,19,16,17,4,13,15,11,18,10,9/E:(2,3)(4,5)(9,10,11,12)(14,15)(16,17)/rA:19nCCCCCCCCNCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;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:10.3126
Area:445.604
Solvation:-0.827504
Coulombic:-11.9731
Bond Count [?]
All:22
Single:19
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:255.398
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.45
LogP (Chemaxon):3.87

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