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Chemical ID: 7108470
Chemical ID:
7108470
Name [?]:
2,4,4-trimethyl-N-(2-thienylmethyl)pentan-2-amine
SMILES [?]:
CC(C)(C)CC(C)(C)NCc1cccs1
InChi [?]:
InChI=1/C13H23NS/c1-12(2,3)10-13(4,5)14-9-11-7-6-8-15-11/h6-8,14H,9-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,13,12,14,10,5,11,2,6,9,15/E:(1,2,3)(4,5)/rA:15nCCCCCCCCNCCCCCS/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H23NS |
All Atoms: | 38 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52384 |
Area: | 412.047 |
Solvation: | -0.777341 |
Coulombic: | -11.4106 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 225.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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