1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine

C14H24N2S — CID 113416980

IUPAC1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCCC1CCN(C(c2sccc2C)C(C)N)C1
InChIInChI=1S/C14H24N2S/c1-4-12-5-7-16(9-12)13(11(3)15)14-10(2)6-8-17-14/h6,8,11-13H,4-5,7,9,15H2,1-3H3
InChIKeyCSZRPFAXCLCXNO-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.18
Rot. Bonds4

About 1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine

1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine (PubChem CID 113416980) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
PubChem CID113416980
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
SMILESCCC1CCN(C(c2sccc2C)C(C)N)C1
InChIInChI=1S/C14H24N2S/c1-4-12-5-7-16(9-12)13(11(3)15)14-10(2)6-8-17-14/h6,8,11-13H,4-5,7,9,15H2,1-3H3
InChIKeyCSZRPFAXCLCXNO-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505344
1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62133189
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227140
2-[2-amino-1-(3-methylthiophen-2-yl)propyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81100142
1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66391668
N-[[1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80551539
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 115558987
4-[2-amino-1-(3-methylthiophen-2-yl)propyl]piperazine-2,6-dione
CID 66085243
1-(3-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine
CID 102743026
1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
CID 63603317
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 82746364
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine (CID 113416980) is 1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine is CCC1CCN(C(c2sccc2C)C(C)N)C1.
What is the InChIKey of 1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine?
The InChIKey is CSZRPFAXCLCXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-4-12-5-7-16(9-12)13(11(3)15)14-10(2)6-8-17-14/h6,8,11-13H,4-5,7,9,15H2,1-3H3.
What are the key properties of 1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine?
1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 113416980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).