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Chemical ID: 5829109
Chemical ID:
5829109
Name [?]:
(4-butylcyclohexyl)-morpholino-methanone
SMILES [?]:
CCCCC1CCC(CC1)C(=O)N2CCOCC2
InChi [?]:
InChI=1/C15H27NO2/c1-2-3-4-13-5-7-14(8-6-13)15(17)16-9-11-18-12-10-16/h13-14H,2-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,6,10,7,9,14,18,15,17,5,8,11,13,12,16/E:(5,6)(7,8)(9,10)(11,12)/rA:18nCCCCCCCCCCCONCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H27NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58973 |
Area: | 461.53 |
Solvation: | -2.94851 |
Coulombic: | -25.468 |
Bond Count [?]
All: | 19 |
Single: | 18 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 253.38 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.58 |
LogP (Chemaxon): | 2.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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