Chemical ID: 6422247

CCOC(=O)C1CCCCC1N
Chemical ID:
6422247
Name [?]:
ethyl 2-aminocyclohexane-1-carboxylate
SMILES [?]:
CCOC(=O)C1CCCCC1N
InChi [?]:
InChI=1/C9H17NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8H,2-6,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,9,7,10,6,11,4,12,5,3/rA:12cCCOCOCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:6.59763
Area:341.006
Solvation:-1.92752
Coulombic:-30.8754
Bond Count [?]
All:12
Single:11
Double:1
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:171.237
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.49
LogP (Chemaxon):0.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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