1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine

C11H15NOS — CID 130815621

IUPAC1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine
SMILESCCC(C)(N)C#Cc1ccc(OC)s1
InChIInChI=1S/C11H15NOS/c1-4-11(2,12)8-7-9-5-6-10(13-3)14-9/h5-6H,4,12H2,1-3H3
InChIKeyKDJOCRMPAXWIRY-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.24
Rot. Bonds2

About 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine

1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine (PubChem CID 130815621) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine.

Molecular Properties

Compound Name1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine
PubChem CID130815621
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine
SMILESCCC(C)(N)C#Cc1ccc(OC)s1
InChIInChI=1S/C11H15NOS/c1-4-11(2,12)8-7-9-5-6-10(13-3)14-9/h5-6H,4,12H2,1-3H3
InChIKeyKDJOCRMPAXWIRY-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine?
The IUPAC name of 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine (CID 130815621) is 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine.
What is the SMILES notation for 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine?
The canonical SMILES for 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine is CCC(C)(N)C#Cc1ccc(OC)s1.
What is the InChIKey of 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine?
The InChIKey is KDJOCRMPAXWIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-4-11(2,12)8-7-9-5-6-10(13-3)14-9/h5-6H,4,12H2,1-3H3.
What are the key properties of 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine?
1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine has a molecular weight of 209.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxythiophen-2-yl)-3-methylpent-1-yn-3-amine is sourced from PubChem (CID 130815621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).