[1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine

C11H18N2S — CID 112546583

IUPAC[1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine
SMILESCc1ccsc1C1CC(CN)CN1C
InChIInChI=1S/C11H18N2S/c1-8-3-4-14-11(8)10-5-9(6-12)7-13(10)2/h3-4,9-10H,5-7,12H2,1-2H3
InChIKeyCKQYJGPIVQTZOH-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.01
Rot. Bonds2

About [1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine

[1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 112546583) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID112546583
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine
SMILESCc1ccsc1C1CC(CN)CN1C
InChIInChI=1S/C11H18N2S/c1-8-3-4-14-11(8)10-5-9(6-12)7-13(10)2/h3-4,9-10H,5-7,12H2,1-2H3
InChIKeyCKQYJGPIVQTZOH-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-2-(3-methylthiophen-2-yl)piperazine
CID 112546134
[5-(2-bromo-3-fluoro-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117485269
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-methyl-3-propan-2-ylphenol
CID 117411171
[1-methyl-5-(5-methylfuran-2-yl)pyrrolidin-3-yl]methanamine
CID 112546386
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455095
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3,6-trimethylphenol
CID 117117153
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
[1-methyl-5-(2-methyl-5-propan-2-ylphenyl)pyrrolidin-3-yl]methanamine
CID 117368988
[1-methyl-5-(2-methyl-4-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379930
[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862
[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455094

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine (CID 112546583) is [1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine is Cc1ccsc1C1CC(CN)CN1C.
What is the InChIKey of [1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is CKQYJGPIVQTZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-3-4-14-11(8)10-5-9(6-12)7-13(10)2/h3-4,9-10H,5-7,12H2,1-2H3.
What are the key properties of [1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine?
[1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 210.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(3-methylthiophen-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 112546583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).