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Chemical ID: 6128764
Chemical ID:
6128764
Name [?]:
ethyl 3-(3-aminocyclohexyl)propanoate
SMILES [?]:
CCOC(=O)CCC1CCCC(C1)N
InChi [?]:
InChI=1/C11H21NO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h9-10H,2-8,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,7,6,13,8,12,4,14,5,3/rA:14cCCOCOCCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s8s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H21NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.16914 |
Area: | 402.802 |
Solvation: | -1.9009 |
Coulombic: | -30.9149 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.29 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.78 |
LogP (Chemaxon): | 1.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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