Chemical ID: 4663927

CC(C)CNc1ccc(cn1)Br
Chemical ID:
4663927
Name [?]:
5-bromo-N-isobutyl-pyridin-2-amine
SMILES [?]:
CC(C)CNc1ccc(cn1)Br
InChi [?]:
InChI=1/C9H13BrN2/c1-7(2)5-11-9-4-3-8(10)6-12-9/h3-4,6-7H,5H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,4,10,2,9,6,12,5,11/E:(1,2)/rA:12nCCCCNCCCCCNBr/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13BrN2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.8141
Area:362.806
Solvation:-1.25606
Coulombic:-17.7374
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:229.117
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.02
LogP (Chemaxon):3.01

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