Chemical ID: 6934145

CCCCC(CC)C(=O)N1CCN=C1C
Chemical ID:
6934145
Name [?]:
2-ethyl-1-(2-methyl-4,5-dihydroimidazol-1-yl)-hexan-1-one
SMILES [?]:
CCCCC(CC)C(=O)N1CCN=C1C
InChi [?]:
InChI=1/C12H22N2O/c1-4-6-7-11(5-2)12(15)14-9-8-13-10(14)3/h11H,4-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,15,2,6,3,4,12,11,14,5,8,13,10,9/rA:15cCCCCCCCCONCCNCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s10d13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22N2O
All Atoms:37
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.07341
Area:414.973
Solvation:-2.30092
Coulombic:-20.9258
Bond Count [?]
All:15
Single:13
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:210.316
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.54
LogP (Chemaxon):2.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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