Chemical ID: 3992195

CCC(C)CCCCNC1=NCCCS1
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

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Descriptor Annotations

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