1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine

C14H24N2S — CID 61332454

IUPAC1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
SMILESCC(C)c1csc(C2(N)CCCCCCC2)n1
InChIInChI=1S/C14H24N2S/c1-11(2)12-10-17-13(16-12)14(15)8-6-4-3-5-7-9-14/h10-11H,3-9,15H2,1-2H3
InChIKeyMLYNDIAMSFCFTF-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.16
Rot. Bonds2

About 1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine

1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine (PubChem CID 61332454) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
PubChem CID61332454
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
SMILESCC(C)c1csc(C2(N)CCCCCCC2)n1
InChIInChI=1S/C14H24N2S/c1-11(2)12-10-17-13(16-12)14(15)8-6-4-3-5-7-9-14/h10-11H,3-9,15H2,1-2H3
InChIKeyMLYNDIAMSFCFTF-UHFFFAOYSA-N
XLogP4.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine?
The IUPAC name of 1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine (CID 61332454) is 1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine.
What is the SMILES notation for 1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine?
The canonical SMILES for 1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine is CC(C)c1csc(C2(N)CCCCCCC2)n1.
What is the InChIKey of 1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine?
The InChIKey is MLYNDIAMSFCFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11(2)12-10-17-13(16-12)14(15)8-6-4-3-5-7-9-14/h10-11H,3-9,15H2,1-2H3.
What are the key properties of 1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine?
1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine is sourced from PubChem (CID 61332454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).