Chemical ID: 7193648

CC(C)(C)C(=O)NCc1ccc[nH+]c1
Chemical ID:
7193648
Name [?]:
2,2-dimethyl-N-(1H-pyridin-5-ylmethyl)propanamide
SMILES [?]:
CC(C)(C)C(=O)NCc1ccc[nH+]c1
InChi [?]:
InChI=1/C11H16N2O/c1-11(2,3)10(14)13-8-9-5-4-6-12-7-9/h4-7H,8H2,1-3H3,(H,13,14)/p+1
InChi Info:
AuxInfo=1/1/N:1,3,4,11,10,12,14,8,9,5,2,13,7,6/E:(1,2,3)/rA:14nCCCCCONCCCCCN+C/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17N2O+
All Atoms:31
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-25.5044
Area:384.584
Solvation:-35.119
Coulombic:-11.6099
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:193.266
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.92
LogP (Chemaxon):1.53

Name Annotations

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Descriptor Annotations

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