N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine

C16H22N2S — CID 107586232

IUPACN-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NCC)c1ccc(-c2cncc(C)c2)s1
InChIInChI=1S/C16H22N2S/c1-4-6-14(18-5-2)16-8-7-15(19-16)13-9-12(3)10-17-11-13/h7-11,14,18H,4-6H2,1-3H3
InChIKeyLMSQKSGKLFVTLF-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.57
Rot. Bonds6

About N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine

N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine (PubChem CID 107586232) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
PubChem CID107586232
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NCC)c1ccc(-c2cncc(C)c2)s1
InChIInChI=1S/C16H22N2S/c1-4-6-14(18-5-2)16-8-7-15(19-16)13-9-12(3)10-17-11-13/h7-11,14,18H,4-6H2,1-3H3
InChIKeyLMSQKSGKLFVTLF-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 107586228
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586221
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
CID 43287717
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethanamine
CID 107586222
1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine
CID 43287744
N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287870
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43288049
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
CID 63400867
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylbutan-1-amine
CID 43287930

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine (CID 107586232) is N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine is CCCC(NCC)c1ccc(-c2cncc(C)c2)s1.
What is the InChIKey of N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine?
The InChIKey is LMSQKSGKLFVTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-6-14(18-5-2)16-8-7-15(19-16)13-9-12(3)10-17-11-13/h7-11,14,18H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine?
N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 107586232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).