4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine

C11H15NOS — CID 164657544

IUPAC4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine
SMILESCOCc1cc(C#CC(C)(C)N)cs1
InChIInChI=1S/C11H15NOS/c1-11(2,12)5-4-9-6-10(7-13-3)14-8-9/h6,8H,7,12H2,1-3H3
InChIKeyCBNBWEQPJZKNPP-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.98
Rot. Bonds2

About 4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine

4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine (PubChem CID 164657544) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound Name4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine
PubChem CID164657544
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine
SMILESCOCc1cc(C#CC(C)(C)N)cs1
InChIInChI=1S/C11H15NOS/c1-11(2,12)5-4-9-6-10(7-13-3)14-8-9/h6,8H,7,12H2,1-3H3
InChIKeyCBNBWEQPJZKNPP-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(methoxymethyl)thiophen-3-yl]but-3-ynenitrile
CID 170474405
ethyl 4-[5-(methoxymethyl)thiophen-3-yl]but-3-ynoate
CID 170470842
4-tert-butyl-2-(methoxymethyl)thiophene
CID 59332632
4-ethyl-2-(methoxymethyl)thiophene
CID 145483599
4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine
CID 63996890
3-[5-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 81268719
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carbonitrile
CID 79613833
2-methyl-4-(3-methylphenyl)but-3-yn-2-amine
CID 63997683
[4-(2-trimethylsilylethynyl)thiophen-2-yl]methanol
CID 177059961
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-methoxythiophene-2-carboxamide
CID 81119598
3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 62140665
ethyl 4-[5-(hydroxymethyl)thiophen-3-yl]but-3-ynoate
CID 170470664

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine?
The IUPAC name of 4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine (CID 164657544) is 4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine.
What is the SMILES notation for 4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine?
The canonical SMILES for 4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine is COCc1cc(C#CC(C)(C)N)cs1.
What is the InChIKey of 4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine?
The InChIKey is CBNBWEQPJZKNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-11(2,12)5-4-9-6-10(7-13-3)14-8-9/h6,8H,7,12H2,1-3H3.
What are the key properties of 4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine?
4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine has a molecular weight of 209.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxymethyl)thiophen-3-yl]-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 164657544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).