N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine

C15H20N2S — CID 63155524

IUPACN-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1ccc(C)nc1
InChIInChI=1S/C15H20N2S/c1-3-8-16-15(10-14-5-4-9-18-14)13-7-6-12(2)17-11-13/h4-7,9,11,15-16H,3,8,10H2,1-2H3
InChIKeyXUOMBHWAGHCAAG-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.73
Rot. Bonds6

About N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine

N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine (PubChem CID 63155524) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
PubChem CID63155524
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1ccc(C)nc1
InChIInChI=1S/C15H20N2S/c1-3-8-16-15(10-14-5-4-9-18-14)13-7-6-12(2)17-11-13/h4-7,9,11,15-16H,3,8,10H2,1-2H3
InChIKeyXUOMBHWAGHCAAG-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139481
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63155526
1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethanol
CID 63155413
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
N-[1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethyl]propan-1-amine
CID 61065695
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783159
3-methoxy-1-(6-methyl-3-pyridinyl)-N-propylpropan-1-amine
CID 63155921
N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103546727

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine (CID 63155524) is N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine is CCCNC(Cc1cccs1)c1ccc(C)nc1.
What is the InChIKey of N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is XUOMBHWAGHCAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-8-16-15(10-14-5-4-9-18-14)13-7-6-12(2)17-11-13/h4-7,9,11,15-16H,3,8,10H2,1-2H3.
What are the key properties of N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine?
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 63155524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).