N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine

C15H26N2OS — CID 58333067

IUPACN-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCC(C)(C)c1csc(CNCCN2CCOCC2)c1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)13-10-14(19-12-13)11-16-4-5-17-6-8-18-9-7-17/h10,12,16H,4-9,11H2,1-3H3
InChIKeyIZMBEDRQHXBQMU-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.47
Rot. Bonds5

About N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine

N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 58333067) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID58333067
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCC(C)(C)c1csc(CNCCN2CCOCC2)c1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)13-10-14(19-12-13)11-16-4-5-17-6-8-18-9-7-17/h10,12,16H,4-9,11H2,1-3H3
InChIKeyIZMBEDRQHXBQMU-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine 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-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine (CID 58333067) is N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine is CC(C)(C)c1csc(CNCCN2CCOCC2)c1.
What is the InChIKey of N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is IZMBEDRQHXBQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(2,3)13-10-14(19-12-13)11-16-4-5-17-6-8-18-9-7-17/h10,12,16H,4-9,11H2,1-3H3.
What are the key properties of N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 282.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 58333067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).