N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

C14H18N2S — CID 114955136

IUPACN-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccncc1CNC(C)c1sccc1C
InChIInChI=1S/C14H18N2S/c1-10-4-6-15-8-13(10)9-16-12(3)14-11(2)5-7-17-14/h4-8,12,16H,9H2,1-3H3
InChIKeyDVCQYDKLQCVQLT-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.61
Rot. Bonds4

About N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 114955136) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID114955136
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccncc1CNC(C)c1sccc1C
InChIInChI=1S/C14H18N2S/c1-10-4-6-15-8-13(10)9-16-12(3)14-11(2)5-7-17-14/h4-8,12,16H,9H2,1-3H3
InChIKeyDVCQYDKLQCVQLT-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 114955153
N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
1-(3-methylthiophen-2-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895134
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 106369709
2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile
CID 114955540
N-[(4-methyl-3-pyridinyl)methyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 114955084
1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 82939347
2-[[(4-methyl-3-pyridinyl)methylamino]methyl]thiophen-3-amine
CID 114955158
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (CID 114955136) is N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccncc1CNC(C)c1sccc1C.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is DVCQYDKLQCVQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-4-6-15-8-13(10)9-16-12(3)14-11(2)5-7-17-14/h4-8,12,16H,9H2,1-3H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 114955136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).