N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine

C14H18N2S — CID 105100649

IUPACN-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccnc1)c1cccs1
InChIInChI=1S/C14H18N2S/c1-2-16-13(14-6-4-10-17-14)8-7-12-5-3-9-15-11-12/h3-6,9-11,13,16H,2,7-8H2,1H3
InChIKeyGCPFQHBFAVLJEL-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.43
Rot. Bonds6

About N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine

N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine (PubChem CID 105100649) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
PubChem CID105100649
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccnc1)c1cccs1
InChIInChI=1S/C14H18N2S/c1-2-16-13(14-6-4-10-17-14)8-7-12-5-3-9-15-11-12/h3-6,9-11,13,16H,2,7-8H2,1H3
InChIKeyGCPFQHBFAVLJEL-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
N-ethyl-1-(3-ethylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171233
1-(3,5-difluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105142109
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
1-(3-bromo-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106647869
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
1-[(1E)-cycloocten-1-yl]-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 106656300
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105186126
N-ethyl-6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127205
N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 43769483

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine (CID 105100649) is N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccnc1)c1cccs1.
What is the InChIKey of N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is GCPFQHBFAVLJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-16-13(14-6-4-10-17-14)8-7-12-5-3-9-15-11-12/h3-6,9-11,13,16H,2,7-8H2,1H3.
What are the key properties of N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine?
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 105100649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).