N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine

C12H16N2S — CID 116828347

IUPACN-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2sccc2C)[nH]c1C
InChIInChI=1S/C12H16N2S/c1-8-4-5-15-12(8)11-6-10(7-13-3)9(2)14-11/h4-6,13-14H,7H2,1-3H3
InChIKeySPMSDGOLKKHZFE-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.08
Rot. Bonds3

About N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine

N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine (PubChem CID 116828347) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine
PubChem CID116828347
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2sccc2C)[nH]c1C
InChIInChI=1S/C12H16N2S/c1-8-4-5-15-12(8)11-6-10(7-13-3)9(2)14-11/h4-6,13-14H,7H2,1-3H3
InChIKeySPMSDGOLKKHZFE-UHFFFAOYSA-N
XLogP3.08
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-methyl-5-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828270
N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828293
N-methyl-1-[2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828335
N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine
CID 116828291
N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828297
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 116828251
N-methyl-1-[3-(3-methylthiophen-2-yl)-1H-pyrazol-5-yl]methanamine
CID 63990913
N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828241
2-(chloromethyl)-5-(3-methylthiophen-2-yl)-1H-imidazole
CID 116878147
N-methyl-1-[1-[5-(3-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882217
N-methyl-1-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61280489
methyl 5-(3-methylthiophen-2-yl)-1H-pyrrole-2-carboxylate
CID 141074208

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine (CID 116828347) is N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine is CNCc1cc(-c2sccc2C)[nH]c1C.
What is the InChIKey of N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine?
The InChIKey is SPMSDGOLKKHZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8-4-5-15-12(8)11-6-10(7-13-3)9(2)14-11/h4-6,13-14H,7H2,1-3H3.
What are the key properties of N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine?
N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine has a molecular weight of 220.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine is sourced from PubChem (CID 116828347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).