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Chemical ID: 7513480
Chemical ID:
7513480
Name [?]:
5-cyclohexyl-4-isopropyl-1,4-diazabicyclo[4.3.0]nonane
SMILES [?]:
CC(C)N1CCN2CCCC2C1C3CCCCC3
InChi [?]:
InChI=1/C16H30N2/c1-13(2)18-12-11-17-10-6-9-15(17)16(18)14-7-4-3-5-8-14/h13-16H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,17,9,14,18,10,8,6,5,2,13,11,12,7,4/E:(1,2)(4,5)(7,8)/rA:18cCCCNCCNCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s7s10;s4s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H30N2 |
All Atoms: | 48 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.843 |
Area: | 400.601 |
Solvation: | -1.17202 |
Coulombic: | -11.3118 |
Bond Count [?]
All: | 20 |
Single: | 20 |
Double: | 0 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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