N-(1,3-thiazol-4-ylmethyl)cyclooctanamine

C12H20N2S — CID 60687158

IUPACN-(1,3-thiazol-4-ylmethyl)cyclooctanamine
SMILESc1nc(CNC2CCCCCCC2)cs1
InChIInChI=1S/C12H20N2S/c1-2-4-6-11(7-5-3-1)13-8-12-9-15-10-14-12/h9-11,13H,1-8H2
InChIKeyATBJKNIXMXWQLW-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.35
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)cyclooctanamine

N-(1,3-thiazol-4-ylmethyl)cyclooctanamine (PubChem CID 60687158) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)cyclooctanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)cyclooctanamine
PubChem CID60687158
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(1,3-thiazol-4-ylmethyl)cyclooctanamine
SMILESc1nc(CNC2CCCCCCC2)cs1
InChIInChI=1S/C12H20N2S/c1-2-4-6-11(7-5-3-1)13-8-12-9-15-10-14-12/h9-11,13H,1-8H2
InChIKeyATBJKNIXMXWQLW-UHFFFAOYSA-N
XLogP3.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)cyclooctanamine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)cyclooctanamine (CID 60687158) is N-(1,3-thiazol-4-ylmethyl)cyclooctanamine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)cyclooctanamine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)cyclooctanamine is c1nc(CNC2CCCCCCC2)cs1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)cyclooctanamine?
The InChIKey is ATBJKNIXMXWQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-4-6-11(7-5-3-1)13-8-12-9-15-10-14-12/h9-11,13H,1-8H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)cyclooctanamine?
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine has a molecular weight of 224.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)cyclooctanamine is sourced from PubChem (CID 60687158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).