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Chemical ID: 4669918
Chemical ID:
4669918
Name [?]:
2-methyl-N-(1-phenylethyl)hex-5-en-3-amine
SMILES [?]:
CC(C)C(CC=C)NC(C)c1ccccc1
InChi [?]:
InChI=1/C15H23N/c1-5-9-15(12(2)3)16-13(4)14-10-7-6-8-11-14/h5-8,10-13,15-16H,1,9H2,2-4H3
InChi Info:
AuxInfo=1/0/N:7,1,3,10,6,14,13,15,5,12,16,2,9,11,4,8/E:(2,3)(7,8)(10,11)/rA:16cCCCCCCCNCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s4;s8;s9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.57524 |
Area: | 419.938 |
Solvation: | -0.923205 |
Coulombic: | -13.5576 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 217.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.16 |
LogP (Chemaxon): | 4.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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