N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine

C11H15NOS — CID 47014077

IUPACN-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(CCOC)Cc1cccs1
InChIInChI=1S/C11H15NOS/c1-3-6-12(7-8-13-2)10-11-5-4-9-14-11/h1,4-5,9H,6-8,10H2,2H3
InChIKeyJUSSCEQQYJUAIV-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.83
Rot. Bonds6

About N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine

N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine (PubChem CID 47014077) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine
PubChem CID47014077
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(CCOC)Cc1cccs1
InChIInChI=1S/C11H15NOS/c1-3-6-12(7-8-13-2)10-11-5-4-9-14-11/h1,4-5,9H,6-8,10H2,2H3
InChIKeyJUSSCEQQYJUAIV-UHFFFAOYSA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
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 N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine (CID 47014077) is N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine is C#CCN(CCOC)Cc1cccs1.
What is the InChIKey of N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine?
The InChIKey is JUSSCEQQYJUAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-6-12(7-8-13-2)10-11-5-4-9-14-11/h1,4-5,9H,6-8,10H2,2H3.
What are the key properties of N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine?
N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine has a molecular weight of 209.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 47014077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).