1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine

C13H16N2S — CID 106755330

IUPAC1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine
SMILESCc1cc(C(N)CCc2ccsc2)ccn1
InChIInChI=1S/C13H16N2S/c1-10-8-12(4-6-15-10)13(14)3-2-11-5-7-16-9-11/h4-9,13H,2-3,14H2,1H3
InChIKeyUNVSNRKXENLDSN-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine

1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 106755330) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine
PubChem CID106755330
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine
SMILESCc1cc(C(N)CCc2ccsc2)ccn1
InChIInChI=1S/C13H16N2S/c1-10-8-12(4-6-15-10)13(14)3-2-11-5-7-16-9-11/h4-9,13H,2-3,14H2,1H3
InChIKeyUNVSNRKXENLDSN-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylpyrazin-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147912
1-(3,4-diethoxyphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115856968
(2S)-2-amino-2-(2-methyl-4-pyridinyl)ethanol
CID 55264047
1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 104789822
1-(2-methyl-4-pyridinyl)hex-5-yn-1-amine
CID 106755808
N-methyl-1-(2-methyl-4-pyridinyl)-1-thiophen-3-ylmethanamine
CID 106755405
1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857115
1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 107102339
1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol
CID 105379193
1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 61079569
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857234

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine (CID 106755330) is 1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine is Cc1cc(C(N)CCc2ccsc2)ccn1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is UNVSNRKXENLDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-8-12(4-6-15-10)13(14)3-2-11-5-7-16-9-11/h4-9,13H,2-3,14H2,1H3.
What are the key properties of 1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine?
1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 106755330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).