2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine

C13H24N2S — CID 139497990

IUPAC2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine
SMILESCCCC(CCC(C)CN)c1scnc1C
InChIInChI=1S/C13H24N2S/c1-4-5-12(7-6-10(2)8-14)13-11(3)15-9-16-13/h9-10,12H,4-8,14H2,1-3H3
InChIKeyUDUJIBFGFDOVNN-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.71
Rot. Bonds7

About 2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine

2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine (PubChem CID 139497990) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine
PubChem CID139497990
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine
SMILESCCCC(CCC(C)CN)c1scnc1C
InChIInChI=1S/C13H24N2S/c1-4-5-12(7-6-10(2)8-14)13-11(3)15-9-16-13/h9-10,12H,4-8,14H2,1-3H3
InChIKeyUDUJIBFGFDOVNN-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine?
The IUPAC name of 2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine (CID 139497990) is 2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine.
What is the SMILES notation for 2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine?
The canonical SMILES for 2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine is CCCC(CCC(C)CN)c1scnc1C.
What is the InChIKey of 2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine?
The InChIKey is UDUJIBFGFDOVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-5-12(7-6-10(2)8-14)13-11(3)15-9-16-13/h9-10,12H,4-8,14H2,1-3H3.
What are the key properties of 2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine?
2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methyl-1,3-thiazol-5-yl)octan-1-amine is sourced from PubChem (CID 139497990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).