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Chemical ID: 4310803
Chemical ID:
4310803
Name [?]:
3-benzyl-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane
SMILES [?]:
CC12CC(CNC1)(CN(C2)Cc3ccccc3)C
InChi [?]:
InChI=1/C16H24N2/c1-15-9-16(2,11-17-10-15)13-18(12-15)8-14-6-4-3-5-7-14/h3-7,17H,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,15,14,16,13,17,11,3,7,5,10,8,12,2,4,6,9/E:(1,2)(4,5)(6,7)(10,11)(12,13)(15,16)/rA:18cCCCCCNCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;s2s9;s9;s11;s12;d13;s14;d15;d12s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.06279 |
Area: | 421.376 |
Solvation: | -1.47162 |
Coulombic: | -15.9258 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 244.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.58 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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