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Chemical ID: 6138485
Chemical ID:
6138485
Name [?]:
2,2-dimethyl-N-(3-pyridylmethyl)propanamide
SMILES [?]:
CC(C)(C)C(=O)NCc1cccnc1
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)
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:14nCCCCCONCCCCCNC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.40918 |
Area: | 384.584 |
Solvation: | -2.20543 |
Coulombic: | -26.0117 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 192.258 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.92 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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