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Chemical ID: 3969075
Chemical ID:
3969075
Name [?]:
4-(1-aminoethyl)-N-(4-pyridyl)cyclohexane-1-carboxamide
SMILES [?]:
CC(C1CCC(CC1)C(=O)Nc2ccncc2)N
InChi [?]:
InChI=1/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,8,5,7,13,17,14,16,2,3,6,12,9,18,15,11,10/E:(2,3)(4,5)(6,7)(8,9)/rA:18cCCCCCCCCCONCCCNCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.43727 |
Area: | 442.083 |
Solvation: | -2.61482 |
Coulombic: | -36.6474 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.336 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.86 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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