Chemical ID: 6934903

CC(C)(C)CC(=O)NCc1cccnc1
Chemical ID:
6934903
Name [?]:
3,3-dimethyl-N-(3-pyridylmethyl)butanamide
SMILES [?]:
CC(C)(C)CC(=O)NCc1cccnc1
InChi [?]:
InChI=1/C12H18N2O/c1-12(2,3)7-11(15)14-9-10-5-4-6-13-8-10/h4-6,8H,7,9H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,11,13,5,15,9,10,6,2,14,8,7/E:(1,2,3)/rA:15nCCCCCCONCCCCCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2O
All Atoms:33
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.84747
Area:402.929
Solvation:-2.22576
Coulombic:-25.7021
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.284
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.1
LogP (Chemaxon):1.47

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Descriptor Annotations

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