2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine

C13H22N2S — CID 79056215

IUPAC2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCc1cc(C(N)C(C)(C)N2CCCC2)cs1
InChIInChI=1S/C13H22N2S/c1-10-8-11(9-16-10)12(14)13(2,3)15-6-4-5-7-15/h8-9,12H,4-7,14H2,1-3H3
InChIKeyRWDMHWWKKDOBND-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.93
Rot. Bonds3

About 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine

2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79056215) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79056215
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCc1cc(C(N)C(C)(C)N2CCCC2)cs1
InChIInChI=1S/C13H22N2S/c1-10-8-11(9-16-10)12(14)13(2,3)15-6-4-5-7-15/h8-9,12H,4-7,14H2,1-3H3
InChIKeyRWDMHWWKKDOBND-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine (CID 79056215) is 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine is Cc1cc(C(N)C(C)(C)N2CCCC2)cs1.
What is the InChIKey of 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is RWDMHWWKKDOBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-8-11(9-16-10)12(14)13(2,3)15-6-4-5-7-15/h8-9,12H,4-7,14H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine?
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79056215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).