Chemical ID: 4310803

CC12CC(CNC1)(CN(C2)Cc3ccccc3)C
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

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Descriptor Annotations

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