5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine

C17H24N2S — CID 107874721

IUPAC5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
SMILESCc1ccc(CC(C)Nc2ccc(C(C)(C)C)cn2)s1
InChIInChI=1S/C17H24N2S/c1-12(10-15-8-6-13(2)20-15)19-16-9-7-14(11-18-16)17(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,18,19)
InChIKeyNOJSGXPRLHNJII-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.79
Rot. Bonds4

About 5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine

5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine (PubChem CID 107874721) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
PubChem CID107874721
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
SMILESCc1ccc(CC(C)Nc2ccc(C(C)(C)C)cn2)s1
InChIInChI=1S/C17H24N2S/c1-12(10-15-8-6-13(2)20-15)19-16-9-7-14(11-18-16)17(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,18,19)
InChIKeyNOJSGXPRLHNJII-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine (CID 107874721) is 5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine is Cc1ccc(CC(C)Nc2ccc(C(C)(C)C)cn2)s1.
What is the InChIKey of 5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine?
The InChIKey is NOJSGXPRLHNJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12(10-15-8-6-13(2)20-15)19-16-9-7-14(11-18-16)17(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,18,19).
What are the key properties of 5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine?
5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 107874721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).