N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine

C16H22N2OS — CID 83124267

IUPACN-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCc2cccs2)cn1
InChIInChI=1S/C16H22N2OS/c1-3-9-17-13(2)16-7-6-14(12-18-16)19-10-8-15-5-4-11-20-15/h4-7,11-13,17H,3,8-10H2,1-2H3
InChIKeyRYVYHJSCPHZNSS-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.83
Rot. Bonds8

About N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83124267) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83124267
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCc2cccs2)cn1
InChIInChI=1S/C16H22N2OS/c1-3-9-17-13(2)16-7-6-14(12-18-16)19-10-8-15-5-4-11-20-15/h4-7,11-13,17H,3,8-10H2,1-2H3
InChIKeyRYVYHJSCPHZNSS-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124172
N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781683
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718
N-[1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethyl]propan-1-amine
CID 115942116
N-[1-[5-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]ethyl]propan-1-amine
CID 106447905
2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794362
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79712986
N-ethyl-1-[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-pyridinyl]ethanamine
CID 83126880
N-ethyl-1-(5-heptoxy-2-pyridinyl)ethanamine
CID 83124328
N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584875
1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethanone
CID 83119183
N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine (CID 83124267) is N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCCc2cccs2)cn1.
What is the InChIKey of N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is RYVYHJSCPHZNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-9-17-13(2)16-7-6-14(12-18-16)19-10-8-15-5-4-11-20-15/h4-7,11-13,17H,3,8-10H2,1-2H3.
What are the key properties of N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83124267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).