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Chemical ID: 7432573
Chemical ID:
7432573
Name [?]:
1-(4-methylpent-4-en-2-ynyl)piperidine
SMILES [?]:
CC(=C)C#CCN1CCCCC1
InChi [?]:
InChI=1/C11H17N/c1-11(2)7-6-10-12-8-4-3-5-9-12/h1,3-5,8-10H2,2H3
InChi Info:
AuxInfo=1/0/N:3,1,10,9,11,5,4,8,12,6,2,7/E:(4,5)(8,9)/rA:12nCCCCCCNCCCCC/rB:s1;d2;s2;t4;s5;s6;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N |
All Atoms: | 29 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97832 |
Area: | 366.834 |
Solvation: | -1.19253 |
Coulombic: | -6.64779 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 163.259 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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