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Chemical ID: 6559105
Chemical ID:
6559105
Name [?]:
N-(1-adamantylmethyl)-2-phenyl-ethanamine
SMILES [?]:
c1ccc(cc1)CCNCC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C19H27N/c1-2-4-15(5-3-1)6-7-20-14-19-11-16-8-17(12-19)10-18(9-16)13-19/h1-5,16-18,20H,6-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,8,14,17,19,16,12,20,10,4,15,13,18,11,9/E:(2,3)(4,5)(8,9,10)(11,12,13)(16,17,18)/rA:20nCCCCCCCCNCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27N |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.854 |
Area: | 469.065 |
Solvation: | -0.872637 |
Coulombic: | -12.293 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 269.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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