1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine

C15H26N2S — CID 80527692

IUPAC1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)NC1CCN(CC(C)(C)c2cccs2)C1
InChIInChI=1S/C15H26N2S/c1-12(2)16-13-7-8-17(10-13)11-15(3,4)14-6-5-9-18-14/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3
InChIKeyBYFVLBDULKMOTK-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.10
Rot. Bonds5

About 1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine

1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 80527692) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine
PubChem CID80527692
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)NC1CCN(CC(C)(C)c2cccs2)C1
InChIInChI=1S/C15H26N2S/c1-12(2)16-13-7-8-17(10-13)11-15(3,4)14-6-5-9-18-14/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3
InChIKeyBYFVLBDULKMOTK-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine (CID 80527692) is 1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine is CC(C)NC1CCN(CC(C)(C)c2cccs2)C1.
What is the InChIKey of 1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is BYFVLBDULKMOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12(2)16-13-7-8-17(10-13)11-15(3,4)14-6-5-9-18-14/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3.
What are the key properties of 1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine?
1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 266.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-thiophen-2-ylpropyl)-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 80527692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).