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Chemical ID: 5222133
Chemical ID:
5222133
Name [?]:
2-(2-adamantyl)-N,N-dimethyl-ethanamine
SMILES [?]:
CN(C)CCC1C2CC3CC(C2)CC1C3
InChi [?]:
InChI=1/C14H25N/c1-15(2)4-3-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,4,10,8,15,12,13,9,11,7,14,6,2/E:(1,2)(6,7,8,9)(10,11)(12,13)/rA:15nCNCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s7s11;s11;s6s13;s9s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H25N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58433 |
Area: | 371.987 |
Solvation: | -0.715344 |
Coulombic: | -6.68882 |
Bond Count [?]
All: | 17 |
Single: | 17 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 207.355 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.64 |
LogP (Chemaxon): | 2.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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