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Chemical ID: 4680040
Chemical ID:
4680040
Name [?]:
2-(3,3-dimethylbut-1-enyl)pyridine
SMILES [?]:
CC(C)(C)C=Cc1ccccn1
InChi [?]:
InChI=1/C11H15N/c1-11(2,3)8-7-10-6-4-5-9-12-10/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,9,10,8,6,5,11,7,2,12/E:(1,2,3)/rA:12nCCCCCCCCCCCN/rB:s1;s2;s2;s2;w5;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.09566 |
Area: | 317.613 |
Solvation: | -0.844656 |
Coulombic: | -6.86012 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 161.244 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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