2-(5-tert-butylthiophen-2-yl)propan-2-amine

C11H19NS — CID 123343971

IUPAC2-(5-tert-butylthiophen-2-yl)propan-2-amine
SMILESCC(C)(C)c1ccc(C(C)(C)N)s1
InChIInChI=1S/C11H19NS/c1-10(2,3)8-6-7-9(13-8)11(4,5)12/h6-7H,12H2,1-5H3
InChIKeyJDYWLHFUNQSOJF-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.24
Rot. Bonds1

About 2-(5-tert-butylthiophen-2-yl)propan-2-amine

2-(5-tert-butylthiophen-2-yl)propan-2-amine (PubChem CID 123343971) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-(5-tert-butylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-tert-butylthiophen-2-yl)propan-2-amine
PubChem CID123343971
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-(5-tert-butylthiophen-2-yl)propan-2-amine
SMILESCC(C)(C)c1ccc(C(C)(C)N)s1
InChIInChI=1S/C11H19NS/c1-10(2,3)8-6-7-9(13-8)11(4,5)12/h6-7H,12H2,1-5H3
InChIKeyJDYWLHFUNQSOJF-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylthiophen-2-yl)propan-2-amine?
The IUPAC name of 2-(5-tert-butylthiophen-2-yl)propan-2-amine (CID 123343971) is 2-(5-tert-butylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 2-(5-tert-butylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 2-(5-tert-butylthiophen-2-yl)propan-2-amine is CC(C)(C)c1ccc(C(C)(C)N)s1.
What is the InChIKey of 2-(5-tert-butylthiophen-2-yl)propan-2-amine?
The InChIKey is JDYWLHFUNQSOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-10(2,3)8-6-7-9(13-8)11(4,5)12/h6-7H,12H2,1-5H3.
What are the key properties of 2-(5-tert-butylthiophen-2-yl)propan-2-amine?
2-(5-tert-butylthiophen-2-yl)propan-2-amine has a molecular weight of 197.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 123343971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).