3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine

C17H26N2S — CID 63159241

IUPAC3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine
SMILESCCC1(CC)CCN(Cc2sccc2C#CCN)CC1
InChIInChI=1S/C17H26N2S/c1-3-17(4-2)8-11-19(12-9-17)14-16-15(6-5-10-18)7-13-20-16/h7,13H,3-4,8-12,14,18H2,1-2H3
InChIKeyTYMZGPUSDXSFHP-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.46
Rot. Bonds4

About 3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine

3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine (PubChem CID 63159241) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine
PubChem CID63159241
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine
SMILESCCC1(CC)CCN(Cc2sccc2C#CCN)CC1
InChIInChI=1S/C17H26N2S/c1-3-17(4-2)8-11-19(12-9-17)14-16-15(6-5-10-18)7-13-20-16/h7,13H,3-4,8-12,14,18H2,1-2H3
InChIKeyTYMZGPUSDXSFHP-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[(4,4-diethylpiperidin-1-yl)methyl]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-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine (CID 63159241) is 3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine is CCC1(CC)CCN(Cc2sccc2C#CCN)CC1.
What is the InChIKey of 3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine?
The InChIKey is TYMZGPUSDXSFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-3-17(4-2)8-11-19(12-9-17)14-16-15(6-5-10-18)7-13-20-16/h7,13H,3-4,8-12,14,18H2,1-2H3.
What are the key properties of 3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine?
3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine has a molecular weight of 290.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4,4-diethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine is sourced from PubChem (CID 63159241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).