Chemical ID: 7108470

CC(C)(C)CC(C)(C)NCc1cccs1
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

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Descriptor Annotations

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