Chemical ID: 5017932

CCOC(=O)CC(C)NC1CCCCC1
Chemical ID:
5017932
Name [?]:
ethyl 3-cyclohexylaminobutanoate
SMILES [?]:
CCOC(=O)CC(C)NC1CCCCC1
InChi [?]:
InChI=1/C12H23NO2/c1-3-15-12(14)9-10(2)13-11-7-5-4-6-8-11/h10-11,13H,3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,13,12,14,11,15,6,7,10,4,9,5,3/E:(5,6)(7,8)/rA:15cCCOCOCCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s7;s9;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H23NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.60581
Area:410.766
Solvation:-1.66332
Coulombic:-27.6529
Bond Count [?]
All:15
Single:14
Double:1
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:213.317
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.83
LogP (Chemaxon):1.89

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Descriptor Annotations

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