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

C11H18N2S — CID 62068987

IUPAC[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1ccsc1CN1CCC(CN)C1
InChIInChI=1S/C11H18N2S/c1-9-3-5-14-11(9)8-13-4-2-10(6-12)7-13/h3,5,10H,2,4,6-8,12H2,1H3
InChIKeyRVCCJDBXWCCRCM-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.84
Rot. Bonds3

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

[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62068987) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is [1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID62068987
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1ccsc1CN1CCC(CN)C1
InChIInChI=1S/C11H18N2S/c1-9-3-5-14-11(9)8-13-4-2-10(6-12)7-13/h3,5,10H,2,4,6-8,12H2,1H3
InChIKeyRVCCJDBXWCCRCM-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80552734
[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 54793852
[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 129359759
1-methylsulfonyl-4-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperidine
CID 91921438
3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781863
1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
CID 54793677
(3R,4R)-4-(azepan-1-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
CID 29000867
[1-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 65243540
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062365
1-[(3-methylthiophen-2-yl)methyl]-4-(triazol-1-yl)piperidine
CID 121183681

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine (CID 62068987) is [1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine is Cc1ccsc1CN1CCC(CN)C1.
What is the InChIKey of [1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is RVCCJDBXWCCRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-3-5-14-11(9)8-13-4-2-10(6-12)7-13/h3,5,10H,2,4,6-8,12H2,1H3.
What are the key properties of [1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 210.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62068987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).