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Chemical ID: 7288431
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
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Experimental Annotations
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Descriptor Annotations
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