3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine

C14H19NOS — CID 66322666

IUPAC3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
SMILESNCC#Cc1ccsc1COCC1CCCC1
InChIInChI=1S/C14H19NOS/c15-8-3-6-13-7-9-17-14(13)11-16-10-12-4-1-2-5-12/h7,9,12H,1-2,4-5,8,10-11,15H2
InChIKeyQETOBYPAYLMIDD-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.77
Rot. Bonds4

About 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine

3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine (PubChem CID 66322666) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
PubChem CID66322666
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine
SMILESNCC#Cc1ccsc1COCC1CCCC1
InChIInChI=1S/C14H19NOS/c15-8-3-6-13-7-9-17-14(13)11-16-10-12-4-1-2-5-12/h7,9,12H,1-2,4-5,8,10-11,15H2
InChIKeyQETOBYPAYLMIDD-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine (CID 66322666) is 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine is NCC#Cc1ccsc1COCC1CCCC1.
What is the InChIKey of 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
The InChIKey is QETOBYPAYLMIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c15-8-3-6-13-7-9-17-14(13)11-16-10-12-4-1-2-5-12/h7,9,12H,1-2,4-5,8,10-11,15H2.
What are the key properties of 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine?
3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylmethoxymethyl)thiophen-3-yl]prop-2-yn-1-amine is sourced from PubChem (CID 66322666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).