[1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine

C12H20N2S — CID 65243540

IUPAC[1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1cc(CN2CCC(CN)C2)sc1C
InChIInChI=1S/C12H20N2S/c1-9-5-12(15-10(9)2)8-14-4-3-11(6-13)7-14/h5,11H,3-4,6-8,13H2,1-2H3
InChIKeyOEOCTMBLRTZJTG-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.15
Rot. Bonds3

About [1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine

[1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 65243540) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID65243540
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1cc(CN2CCC(CN)C2)sc1C
InChIInChI=1S/C12H20N2S/c1-9-5-12(15-10(9)2)8-14-4-3-11(6-13)7-14/h5,11H,3-4,6-8,13H2,1-2H3
InChIKeyOEOCTMBLRTZJTG-UHFFFAOYSA-N
XLogP2.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068987
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 103840862
methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62063570
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151
1-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methylpiperidin-3-amine
CID 102841673
[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 55146596
(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882978
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837708
[1-[(2,4,6-trimethylphenyl)methyl]piperidin-4-yl]methanamine
CID 54793607
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359

Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine (CID 65243540) is [1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine is Cc1cc(CN2CCC(CN)C2)sc1C.
What is the InChIKey of [1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is OEOCTMBLRTZJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-5-12(15-10(9)2)8-14-4-3-11(6-13)7-14/h5,11H,3-4,6-8,13H2,1-2H3.
What are the key properties of [1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 65243540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).