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Chemical ID: 7513470
Chemical ID:
7513470
Name [?]:
4-[(2,4-dimethylphenyl)methyl]-5-methyl-1,4-diazabicyclo[4.3.0]nonane
SMILES [?]:
Cc1ccc(c(c1)C)CN2CCN3CCCC3C2C
InChi [?]:
InChI=1/C17H26N2/c1-13-6-7-16(14(2)11-13)12-19-10-9-18-8-4-5-17(18)15(19)3/h6-7,11,15,17H,4-5,8-10,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,19,15,16,3,4,14,12,11,7,9,2,6,18,5,17,13,10/rA:19cCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;s15;s13s16;s10s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26N2 |
All Atoms: | 45 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.46255 |
Area: | 442.996 |
Solvation: | -1.61235 |
Coulombic: | -10.9952 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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