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Chemical ID: 3992195
Chemical ID:
3992195
Name [?]:
N-(5-methylheptyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILES [?]:
CCC(C)CCCCNC1=NCCCS1
InChi [?]:
InChI=1/C12H24N2S/c1-3-11(2)7-4-5-8-13-12-14-9-6-10-15-12/h11H,3-10H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,2,6,7,13,5,8,12,14,3,10,9,11,15/rA:15cCCCCCCCCNCNCCCS/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;d10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24N2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0014 |
Area: | 453.892 |
Solvation: | -1.34587 |
Coulombic: | -19.8694 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 228.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.34 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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