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Chemical ID: 4178879
Chemical ID:
4178879
Name [?]:
1-methyl-4-(4-methylcyclohexyl)-1,4-diazepane
SMILES [?]:
CC1CCC(CC1)N2CCCN(CC2)C
InChi [?]:
InChI=1/C13H26N2/c1-12-4-6-13(7-5-12)15-9-3-8-14(2)10-11-15/h12-13H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,10,3,7,4,6,11,9,13,14,2,5,12,8/E:(4,5)(6,7)/rA:15cCCCCCCCNCCCNCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s8s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H26N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.72375 |
Area: | 389.845 |
Solvation: | -1.02237 |
Coulombic: | -10.9205 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 210.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.4 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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