2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine

C14H23N3S — CID 113279450

IUPAC2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
SMILESNC(CN1CCC(N2CCCC2)C1)c1cccs1
InChIInChI=1S/C14H23N3S/c15-13(14-4-3-9-18-14)11-16-8-5-12(10-16)17-6-1-2-7-17/h3-4,9,12-13H,1-2,5-8,10-11,15H2
InChIKeyVZRDXUPOVQUPHP-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.92
Rot. Bonds4

About 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine

2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine (PubChem CID 113279450) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
PubChem CID113279450
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
SMILESNC(CN1CCC(N2CCCC2)C1)c1cccs1
InChIInChI=1S/C14H23N3S/c15-13(14-4-3-9-18-14)11-16-8-5-12(10-16)17-6-1-2-7-17/h3-4,9,12-13H,1-2,5-8,10-11,15H2
InChIKeyVZRDXUPOVQUPHP-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azocan-1-yl)-1-thiophen-2-ylethanamine
CID 115287666
1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine
CID 113279390
2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
CID 115287909
1-(3-fluorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 107521089
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
2-(4-propan-2-ylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 113279389
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
2-(4-propylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287657
2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63171581
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)propan-1-amine
CID 79917237

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine (CID 113279450) is 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine is NC(CN1CCC(N2CCCC2)C1)c1cccs1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine?
The InChIKey is VZRDXUPOVQUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c15-13(14-4-3-9-18-14)11-16-8-5-12(10-16)17-6-1-2-7-17/h3-4,9,12-13H,1-2,5-8,10-11,15H2.
What are the key properties of 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine?
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine has a molecular weight of 265.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 113279450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).