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Chemical ID: 6934905
Chemical ID:
6934905
Name [?]:
2-methyl-N-(3-pyridylmethyl)butanamide
SMILES [?]:
CCC(C)C(=O)NCc1cccnc1
InChi [?]:
InChI=1/C11H16N2O/c1-3-9(2)11(14)13-8-10-5-4-6-12-7-10/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,2,11,10,12,14,8,3,9,5,13,7,6/rA:14cCCCCCONCCCCCNC/rB:s1;s2;s3;s3;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O |
All Atoms: | 30 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.51483 |
Area: | 392.068 |
Solvation: | -2.28687 |
Coulombic: | -25.7966 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 192.258 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.28 |
LogP (Chemaxon): | 1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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