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Chemical ID: 3968537
Chemical ID:
3968537
Name [?]:
N-methyl-N-(1-methyl-2-phenyl-ethyl)-prop-2-yn-1-amine
SMILES [?]:
CC(Cc1ccccc1)N(C)CC#C
InChi [?]:
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:14,1,11,13,7,6,8,5,9,12,3,2,4,10/E:(6,7)(8,9)/rA:14cCCCCCCCCCNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;s10;s12;t13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.99444 |
Area: | 384.99 |
Solvation: | -1.63032 |
Coulombic: | -8.93645 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 187.281 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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