[1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine

C13H22N2S — CID 115311559

IUPAC[1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine
SMILESCC(C)C(c1cccs1)N1CCCC1CN
InChIInChI=1S/C13H22N2S/c1-10(2)13(12-6-4-8-16-12)15-7-3-5-11(15)9-14/h4,6,8,10-11,13H,3,5,7,9,14H2,1-2H3
InChIKeyVKUOSDIBNJJINP-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.87
Rot. Bonds4

About [1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine

[1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine (PubChem CID 115311559) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine
PubChem CID115311559
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine
SMILESCC(C)C(c1cccs1)N1CCCC1CN
InChIInChI=1S/C13H22N2S/c1-10(2)13(12-6-4-8-16-12)15-7-3-5-11(15)9-14/h4,6,8,10-11,13H,3,5,7,9,14H2,1-2H3
InChIKeyVKUOSDIBNJJINP-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine
CID 115311578
[1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311689
1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902
2-(2-methyl-1-thiophen-2-ylpropyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939013
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
CID 55021860
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine
CID 55021955
2-[1-(2-amino-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 55021562
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
2-(2-methyl-1-thiophen-2-ylpropyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926162

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine (CID 115311559) is [1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine is CC(C)C(c1cccs1)N1CCCC1CN.
What is the InChIKey of [1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine?
The InChIKey is VKUOSDIBNJJINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(2)13(12-6-4-8-16-12)15-7-3-5-11(15)9-14/h4,6,8,10-11,13H,3,5,7,9,14H2,1-2H3.
What are the key properties of [1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine?
[1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115311559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).