Chemical ID: 7122224

CC[NH+]1CCN(CC1)C(=O)C2(CCCCC2)C
Chemical ID:
7122224
Name [?]:
(4-ethyl-2,3,5,6-tetrahydropyrazin-1-yl)-(1-methylcyclohexyl)-methanone
SMILES [?]:
CC[NH+]1CCN(CC1)C(=O)C2(CCCCC2)C
InChi [?]:
InChI=1/C14H26N2O/c1-3-15-9-11-16(12-10-15)13(17)14(2)7-5-4-6-8-14/h3-12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,17,2,14,13,15,12,16,4,8,5,7,9,11,3,6,10/E:(5,6)(7,8)(9,10)(11,12)/rA:17nCCN+CCNCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H27N2O+
All Atoms:44
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-21.533
Area:408.756
Solvation:-31.7519
Coulombic:13.1715
Bond Count [?]
All:18
Single:17
Double:1
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:239.377
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.03
LogP (Chemaxon):2.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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