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Chemical ID: 7109439
Chemical ID:
7109439
Name [?]:
3,5-dimethyl-N-(2-pyridylmethyl)adamantan-1-amine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)NCc4ccccn4)C
InChi [?]:
InChI=1/C18H26N2/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)20-10-15-5-3-4-6-19-15/h3-6,14,20H,7-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,16,17,15,18,3,5,10,13,7,11,8,4,14,2,6,9,19,12/E:(1,2)(7,8)(12,13)(16,17)/rA:20cCCCCCCCCCCCNCCCCCCNC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s12;s13;s14;d15;s16;d17;d14s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N2 |
All Atoms: | 46 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.70269 |
Area: | 448.683 |
Solvation: | -1.51438 |
Coulombic: | -15.3491 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.413 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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