Chemical ID: 3969075

CC(C1CCC(CC1)C(=O)Nc2ccncc2)N
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

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Descriptor Annotations

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