N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine

C15H20N2S — CID 82730797

IUPACN-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ncccc1CC
InChIInChI=1S/C15H20N2S/c1-3-13-6-5-8-17-15(13)14(16-4-2)10-12-7-9-18-11-12/h5-9,11,14,16H,3-4,10H2,1-2H3
InChIKeyKXBZJFLRTQRFTH-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.60
Rot. Bonds6

About N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine

N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine (PubChem CID 82730797) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
PubChem CID82730797
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ncccc1CC
InChIInChI=1S/C15H20N2S/c1-3-13-6-5-8-17-15(13)14(16-4-2)10-12-7-9-18-11-12/h5-9,11,14,16H,3-4,10H2,1-2H3
InChIKeyKXBZJFLRTQRFTH-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 82730318
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732781
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 82729902
1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 103444550
N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185
1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 82730091
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732649
(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92562330
N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61222089
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine
CID 92562333

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine (CID 82730797) is N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1ncccc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
The InChIKey is KXBZJFLRTQRFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-13-6-5-8-17-15(13)14(16-4-2)10-12-7-9-18-11-12/h5-9,11,14,16H,3-4,10H2,1-2H3.
What are the key properties of N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 82730797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).