4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol

C15H23NO2S — CID 81062537

IUPAC4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
SMILESCC(C)OCCN(C)Cc1ccc(C#CCCO)s1
InChIInChI=1S/C15H23NO2S/c1-13(2)18-11-9-16(3)12-15-8-7-14(19-15)6-4-5-10-17/h7-8,13,17H,5,9-12H2,1-3H3
InChIKeyMDYCDLYHVLLEDQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.34
Rot. Bonds7

About 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol

4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol (PubChem CID 81062537) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
PubChem CID81062537
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
SMILESCC(C)OCCN(C)Cc1ccc(C#CCCO)s1
InChIInChI=1S/C15H23NO2S/c1-13(2)18-11-9-16(3)12-15-8-7-14(19-15)6-4-5-10-17/h7-8,13,17H,5,9-12H2,1-3H3
InChIKeyMDYCDLYHVLLEDQ-UHFFFAOYSA-N
XLogP2.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol with MolForge

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Related Compounds

5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-2-carboxamide
CID 81062640
4-[5-[[methyl(2-methylsulfanylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 112663907
4-[5-[[methyl(2-phenylethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 65488783
4-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 81061615
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 107557246
4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-2-yl]but-3-yn-1-ol
CID 105416374
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
1-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512539
4-[5-[[2-ethoxyethyl(methyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 81062349
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-carboxamide
CID 112663411
1-ethyl-3-[[5-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]imidazol-2-one
CID 80582021
4-[5-(2-cyclopropylethoxymethyl)thiophen-2-yl]but-3-yn-1-ol
CID 114157752

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol?
The IUPAC name of 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol (CID 81062537) is 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol is CC(C)OCCN(C)Cc1ccc(C#CCCO)s1.
What is the InChIKey of 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol?
The InChIKey is MDYCDLYHVLLEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13(2)18-11-9-16(3)12-15-8-7-14(19-15)6-4-5-10-17/h7-8,13,17H,5,9-12H2,1-3H3.
What are the key properties of 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol?
4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol has a molecular weight of 281.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]but-3-yn-1-ol is sourced from PubChem (CID 81062537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).