N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine

C16H23N3S — CID 107556276

IUPACN-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN(CC)Cc2ccncc2)s1
InChIInChI=1S/C16H23N3S/c1-3-17-11-15-5-6-16(20-15)13-19(4-2)12-14-7-9-18-10-8-14/h5-10,17H,3-4,11-13H2,1-2H3
InChIKeyUVXJPQOXBYJTHZ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.27
Rot. Bonds8

About N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine

N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107556276) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107556276
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN(CC)Cc2ccncc2)s1
InChIInChI=1S/C16H23N3S/c1-3-17-11-15-5-6-16(20-15)13-19(4-2)12-14-7-9-18-10-8-14/h5-10,17H,3-4,11-13H2,1-2H3
InChIKeyUVXJPQOXBYJTHZ-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine (CID 107556276) is N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(CN(CC)Cc2ccncc2)s1.
What is the InChIKey of N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is UVXJPQOXBYJTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-17-11-15-5-6-16(20-15)13-19(4-2)12-14-7-9-18-10-8-14/h5-10,17H,3-4,11-13H2,1-2H3.
What are the key properties of N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[ethyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107556276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).