1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine

C17H24N2S — CID 66446198

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1cc(C)c(C)s1)C(C)c1ccncc1
InChIInChI=1S/C17H24N2S/c1-5-8-19-17(16-11-12(2)14(4)20-16)13(3)15-6-9-18-10-7-15/h6-7,9-11,13,17,19H,5,8H2,1-4H3
InChIKeyQEMRFMBVALKGCR-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.60
Rot. Bonds6

About 1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine

1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 66446198) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
PubChem CID66446198
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1cc(C)c(C)s1)C(C)c1ccncc1
InChIInChI=1S/C17H24N2S/c1-5-8-19-17(16-11-12(2)14(4)20-16)13(3)15-6-9-18-10-7-15/h6-7,9-11,13,17,19H,5,8H2,1-4H3
InChIKeyQEMRFMBVALKGCR-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79692893
1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446199
1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448152
1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79975032
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446400
1-(1-benzothiophen-2-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446195
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 61334577
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997
N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 43496227

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine (CID 66446198) is 1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine is CCCNC(c1cc(C)c(C)s1)C(C)c1ccncc1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is QEMRFMBVALKGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-8-19-17(16-11-12(2)14(4)20-16)13(3)15-6-9-18-10-7-15/h6-7,9-11,13,17,19H,5,8H2,1-4H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66446198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).