N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine

C11H19NS — CID 114748769

IUPACN-[(5-tert-butylthiophen-3-yl)methyl]ethanamine
SMILESCCNCc1csc(C(C)(C)C)c1
InChIInChI=1S/C11H19NS/c1-5-12-7-9-6-10(13-8-9)11(2,3)4/h6,8,12H,5,7H2,1-4H3
InChIKeyFQPVUEORJGLZGT-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.16
Rot. Bonds3

About N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine

N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine (PubChem CID 114748769) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-3-yl)methyl]ethanamine
PubChem CID114748769
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[(5-tert-butylthiophen-3-yl)methyl]ethanamine
SMILESCCNCc1csc(C(C)(C)C)c1
InChIInChI=1S/C11H19NS/c1-5-12-7-9-6-10(13-8-9)11(2,3)4/h6,8,12H,5,7H2,1-4H3
InChIKeyFQPVUEORJGLZGT-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine (CID 114748769) is N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine is CCNCc1csc(C(C)(C)C)c1.
What is the InChIKey of N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine?
The InChIKey is FQPVUEORJGLZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-12-7-9-6-10(13-8-9)11(2,3)4/h6,8,12H,5,7H2,1-4H3.
What are the key properties of N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine?
N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine has a molecular weight of 197.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 114748769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).