Chemical ID: 5069116

CC(C)(C)C1CCC(CC1)NCCCS
Chemical ID:
5069116
Name [?]:
3-(4-tert-butylcyclohexyl)aminopropane-1-thiol
SMILES [?]:
CC(C)(C)C1CCC(CC1)NCCCS
InChi [?]:
InChI=1/C13H27NS/c1-13(2,3)11-5-7-12(8-6-11)14-9-4-10-15/h11-12,14-15H,4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,6,10,7,9,12,14,5,8,2,11,15/E:(1,2,3)(5,6)(7,8)/rA:15nCCCCCCCCCCNCCCS/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;s11;s12;s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H27NS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:10.0945
Area:443.076
Solvation:-0.98245
Coulombic:-13.3845
Bond Count [?]
All:15
Single:15
Double:0
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:229.426
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.87
LogP (Chemaxon):3.45

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Descriptor Annotations

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