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

C11H18N2S — CID 115311784

IUPAC[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCc1ccc(CN2CCCC2CN)s1
InChIInChI=1S/C11H18N2S/c1-9-4-5-11(14-9)8-13-6-2-3-10(13)7-12/h4-5,10H,2-3,6-8,12H2,1H3
InChIKeyPPHCXNAICVYMMI-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.98
Rot. Bonds3

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

[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115311784) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID115311784
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCc1ccc(CN2CCCC2CN)s1
InChIInChI=1S/C11H18N2S/c1-9-4-5-11(14-9)8-13-6-2-3-10(13)7-12/h4-5,10H,2-3,6-8,12H2,1H3
InChIKeyPPHCXNAICVYMMI-UHFFFAOYSA-N
XLogP1.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927224
[1-[(5-nitrothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 104869772
1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63254745
[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 82505300
[1-[(4-bromo-5-methylthiophen-2-yl)methyl]piperidin-2-yl]methanamine
CID 102841560
[1-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311730
3,5-dimethyl-4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92502967
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311614
(3R,8aR)-3-methyl-2-[(5-methylthiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792176
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanamine
CID 94011431

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine (CID 115311784) is [1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine is Cc1ccc(CN2CCCC2CN)s1.
What is the InChIKey of [1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is PPHCXNAICVYMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-4-5-11(14-9)8-13-6-2-3-10(13)7-12/h4-5,10H,2-3,6-8,12H2,1H3.
What are the key properties of [1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 210.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115311784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).