[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine

C14H19N3S — CID 80728285

IUPAC[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN(C)Cc1ccncc1
InChIInChI=1S/C14H19N3S/c1-11-13(7-14(8-15)18-11)10-17(2)9-12-3-5-16-6-4-12/h3-7H,8-10,15H2,1-2H3
InChIKeyFCYMGWRTDQPDIH-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.54
Rot. Bonds5

About [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine

[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine (PubChem CID 80728285) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
PubChem CID80728285
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN(C)Cc1ccncc1
InChIInChI=1S/C14H19N3S/c1-11-13(7-14(8-15)18-11)10-17(2)9-12-3-5-16-6-4-12/h3-7H,8-10,15H2,1-2H3
InChIKeyFCYMGWRTDQPDIH-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine
CID 80727351
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 80720176
[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
CID 62432735
[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methanamine
CID 80729712
N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 86815152
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine
CID 80728454
1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728155
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 80728906
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43563884
7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43563899
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62050646

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine (CID 80728285) is [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine is Cc1sc(CN)cc1CN(C)Cc1ccncc1.
What is the InChIKey of [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine?
The InChIKey is FCYMGWRTDQPDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-13(7-14(8-15)18-11)10-17(2)9-12-3-5-16-6-4-12/h3-7H,8-10,15H2,1-2H3.
What are the key properties of [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine?
[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine has a molecular weight of 261.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80728285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).