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Chemical ID: 3968413
Chemical ID:
3968413
Name [?]:
1-(1-adamantyl)ethanamine
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)N
InChi [?]:
InChI=1/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,9,11,8,4,12,2,7,5,10,3,13/E:(2,3,4)(5,6,7)(9,10,11)/rA:13cCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.55029 |
Area: | 320.305 |
Solvation: | -0.457348 |
Coulombic: | -13.8181 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 179.302 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.58 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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