2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol

C13H23NOS — CID 66178783

IUPAC2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNC(C)c1cccs1
InChIInChI=1S/C13H23NOS/c1-10(2)8-13(4,15)9-14-11(3)12-6-5-7-16-12/h5-7,10-11,14-15H,8-9H2,1-4H3
InChIKeyFTSUIPVURRBRDU-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.20
Rot. Bonds6

About 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol

2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol (PubChem CID 66178783) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol
PubChem CID66178783
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNC(C)c1cccs1
InChIInChI=1S/C13H23NOS/c1-10(2)8-13(4,15)9-14-11(3)12-6-5-7-16-12/h5-7,10-11,14-15H,8-9H2,1-4H3
InChIKeyFTSUIPVURRBRDU-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol 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 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol (CID 66178783) is 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol is CC(C)CC(C)(O)CNC(C)c1cccs1.
What is the InChIKey of 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol?
The InChIKey is FTSUIPVURRBRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-10(2)8-13(4,15)9-14-11(3)12-6-5-7-16-12/h5-7,10-11,14-15H,8-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol?
2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol has a molecular weight of 241.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(1-thiophen-2-ylethylamino)pentan-2-ol is sourced from PubChem (CID 66178783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).