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Chemical ID: 4122386
Chemical ID:
4122386
Name [?]:
N-(2-furylmethyl)-4-methyl-cyclohexan-1-amine
SMILES [?]:
CC1CCC(CC1)NCc2ccco2
InChi [?]:
InChI=1/C12H19NO/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h2-3,8,10-11,13H,4-7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,3,7,4,6,13,9,2,5,10,8,14/E:(4,5)(6,7)/rA:14nCCCCCCCNCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.73205 |
Area: | 386.007 |
Solvation: | -1.91812 |
Coulombic: | -16.649 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 193.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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