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Chemical ID: 5083392
Chemical ID:
5083392
Name [?]:
N'-(4-aminocyclohexyl)cyclohexane-1,4-diamine
SMILES [?]:
C1CC(CCC1N)NC2CCC(CC2)N
InChi [?]:
InChI=1/C12H25N3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h9-12,15H,1-8,13-14H2
InChi Info:
AuxInfo=1/0/N:1,5,11,13,2,4,10,14,6,12,3,9,7,15,8/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12)(13,14)/rA:15nCCCCCCNNCCCCCCN/rB:s1;s2;s3;s4;s1s5;s6;s3;s8;s9;s10;s11;s12;s9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H25N3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64047 |
Area: | 400.821 |
Solvation: | -1.38005 |
Coulombic: | -33.6325 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 211.347 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 3 |
XLogP: | 0.86 |
LogP (Chemaxon): | 0.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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