3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine

C15H23N3S — CID 63634674

IUPAC3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine
SMILESCCN1CCN(Cc2sccc2C#CCN)CC1C
InChIInChI=1S/C15H23N3S/c1-3-18-9-8-17(11-13(18)2)12-15-14(5-4-7-16)6-10-19-15/h6,10,13H,3,7-9,11-12,16H2,1-2H3
InChIKeyALDKUIXZPMHLCL-UHFFFAOYSA-N
MW277.44 g/mol
LogP1.58
Rot. Bonds3

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

3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine (PubChem CID 63634674) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine
PubChem CID63634674
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine
SMILESCCN1CCN(Cc2sccc2C#CCN)CC1C
InChIInChI=1S/C15H23N3S/c1-3-18-9-8-17(11-13(18)2)12-15-14(5-4-7-16)6-10-19-15/h6,10,13H,3,7-9,11-12,16H2,1-2H3
InChIKeyALDKUIXZPMHLCL-UHFFFAOYSA-N
XLogP1.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine (CID 63634674) is 3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine is CCN1CCN(Cc2sccc2C#CCN)CC1C.
What is the InChIKey of 3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine?
The InChIKey is ALDKUIXZPMHLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-3-18-9-8-17(11-13(18)2)12-15-14(5-4-7-16)6-10-19-15/h6,10,13H,3,7-9,11-12,16H2,1-2H3.
What are the key properties of 3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine?
3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine has a molecular weight of 277.44 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine is sourced from PubChem (CID 63634674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).