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

C13H23NOS — CID 66179213

IUPAC2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNCCc1cccs1
InChIInChI=1S/C13H23NOS/c1-11(2)9-13(3,15)10-14-7-6-12-5-4-8-16-12/h4-5,8,11,14-15H,6-7,9-10H2,1-3H3
InChIKeyADJKLEQKXOTBQM-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.68
Rot. Bonds7

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

2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol (PubChem CID 66179213) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol
PubChem CID66179213
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol
SMILESCC(C)CC(C)(O)CNCCc1cccs1
InChIInChI=1S/C13H23NOS/c1-11(2)9-13(3,15)10-14-7-6-12-5-4-8-16-12/h4-5,8,11,14-15H,6-7,9-10H2,1-3H3
InChIKeyADJKLEQKXOTBQM-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol (CID 66179213) is 2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol is CC(C)CC(C)(O)CNCCc1cccs1.
What is the InChIKey of 2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol?
The InChIKey is ADJKLEQKXOTBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-11(2)9-13(3,15)10-14-7-6-12-5-4-8-16-12/h4-5,8,11,14-15H,6-7,9-10H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol?
2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol has a molecular weight of 241.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-thiophen-2-ylethylamino)pentan-2-ol is sourced from PubChem (CID 66179213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).