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Chemical ID: 3967390
Chemical ID:
3967390
Name [?]:
3,5-dimethyladamantan-1-amine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)N)C
InChi [?]:
InChI=1/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,3,5,10,7,11,8,4,2,6,9,12/E:(1,2)(3,4)(7,8)(10,11)/rA:13cCCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s6;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.49319 |
Area: | 318.839 |
Solvation: | -0.4778 |
Coulombic: | -13.7993 |
Bond Count [?]
All: | 15 |
Single: | 15 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 179.302 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.52 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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