1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

C16H22N2OS — CID 105026807

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cc(C)c(C)s2)c1
InChIInChI=1S/C16H22N2OS/c1-5-6-19-14-8-13(9-18-10-14)16(17-4)15-7-11(2)12(3)20-15/h7-10,16-17H,5-6H2,1-4H3
InChIKeyJURSRSVUPQOBIL-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.86
Rot. Bonds6

About 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 105026807) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
PubChem CID105026807
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cc(C)c(C)s2)c1
InChIInChI=1S/C16H22N2OS/c1-5-6-19-14-8-13(9-18-10-14)16(17-4)15-7-11(2)12(3)20-15/h7-10,16-17H,5-6H2,1-4H3
InChIKeyJURSRSVUPQOBIL-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4,5-dimethylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330062
1-(5-chlorothiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026778
N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine
CID 105175758
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175626
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
1-(5-bromo-2-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026983
1-(2-chloro-3-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026800
N-[(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026808
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026815
[(4-methylthiophen-3-yl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105251939

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (CID 105026807) is 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(NC)c2cc(C)c(C)s2)c1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is JURSRSVUPQOBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-6-19-14-8-13(9-18-10-14)16(17-4)15-7-11(2)12(3)20-15/h7-10,16-17H,5-6H2,1-4H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).