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Chemical ID: 5829807
Chemical ID:
5829807
Name [?]:
7-cyclohexyl-1,4,4-trimethyl-7-azabicyclo[4.2.1]nonane
SMILES [?]:
CC1(CCC2(CC(C1)N(C2)C3CCCCC3)C)C
InChi [?]:
InChI=1/C17H31N/c1-16(2)9-10-17(3)12-15(11-16)18(13-17)14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,17,14,13,15,12,16,3,4,8,6,10,11,7,2,5,9/E:(1,2)(5,6)(7,8)/rA:18cCCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s2s7;s7;s5s9;s9;s11;s12;s13;s14;s11s15;s5;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H31N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.0689 |
Area: | 418.617 |
Solvation: | -0.396505 |
Coulombic: | -7.29583 |
Bond Count [?]
All: | 20 |
Single: | 20 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 249.435 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.25 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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