Chemical ID: 6128764

CCOC(=O)CCC1CCCC(C1)N
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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