Chemical ID: 4180074

CC1(CC(=O)C(=CNCCC2=CCCCC2)C(=O)C1)C
Chemical ID:
4180074
Name [?]:
2-[2-(1-cyclohexenyl)ethylaminomethylene]-5,5-dimethyl-cyclohexane-1,3-dione
SMILES [?]:
CC1(CC(=O)C(=CNCCC2=CCCCC2)C(=O)C1)C
InChi [?]:
InChI=1/C17H25NO2/c1-17(2)10-15(19)14(16(20)11-17)12-18-9-8-13-6-4-3-5-7-13/h6,12,18H,3-5,7-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,14,13,15,12,16,10,9,3,19,7,11,6,4,17,2,8,5,18/E:(1,2)(10,11)(15,16)(19,20)/rA:20nCCCCOCCNCCCCCCCCCOCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;s10;d11;s12;s13;s14;s11s15;s6;d17;s2s17;s2;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.42611
Area:492.855
Solvation:-2.89525
Coulombic:-27.5473
Bond Count [?]
All:21
Single:17
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:275.386
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.99
LogP (Chemaxon):3.35

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