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

C15H20N2OS — CID 79781683

IUPACN-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCc2cccs2)cn1
InChIInChI=1S/C15H20N2OS/c1-2-8-16-11-13-5-6-14(12-17-13)18-9-7-15-4-3-10-19-15/h3-6,10,12,16H,2,7-9,11H2,1H3
InChIKeyODQQVAGGDRNMDL-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.26
Rot. Bonds8

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

N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79781683) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID79781683
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCc2cccs2)cn1
InChIInChI=1S/C15H20N2OS/c1-2-8-16-11-13-5-6-14(12-17-13)18-9-7-15-4-3-10-19-15/h3-6,10,12,16H,2,7-9,11H2,1H3
InChIKeyODQQVAGGDRNMDL-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794362
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83124267
N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782675
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
N-[(5-hept-6-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 107006237
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781849
1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethanone
CID 83119183
N-[[3-chloro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 115953152
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783377

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine (CID 79781683) is N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCCc2cccs2)cn1.
What is the InChIKey of N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is ODQQVAGGDRNMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-8-16-11-13-5-6-14(12-17-13)18-9-7-15-4-3-10-19-15/h3-6,10,12,16H,2,7-9,11H2,1H3.
What are the key properties of N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79781683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).