Chemical ID: 6048048

CC(C)(C)OC(=O)NCCc1cccnc1
Chemical ID:
6048048
Name [?]:
tert-butyl 2-(3-pyridyl)ethylaminoformate
SMILES [?]:
CC(C)(C)OC(=O)NCCc1cccnc1
InChi [?]:
InChI=1/C12H18N2O2/c1-12(2,3)16-11(15)14-8-6-10-5-4-7-13-9-10/h4-5,7,9H,6,8H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,12,10,14,9,16,11,6,2,15,8,7,5/E:(1,2,3)/rA:16nCCCCOCONCCCCCCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.49106
Area:428.151
Solvation:-2.21271
Coulombic:-38.5297
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:222.284
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.8
LogP (Chemaxon):1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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