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Chemical ID: 6678659
Chemical ID:
6678659
Name [?]:
1-(3,5-dimethyl-1-adamantyl)-N,N-dimethyl-methanamine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)CN(C)C)C
InChi [?]:
InChI=1/C15H27N/c1-13-5-12-6-14(2,8-13)10-15(7-12,9-13)11-16(3)4/h12H,5-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,14,15,3,5,10,7,11,8,12,4,2,6,9,13/E:(1,2)(3,4)(5,6)(9,10)(13,14)/rA:16cCCCCCCCCCCCCNCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s12;s13;s13;s6;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H27N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.90116 |
Area: | 381.159 |
Solvation: | -0.627818 |
Coulombic: | -6.8828 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 221.382 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.96 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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