3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline

C17H22N2S — CID 60943707

IUPAC3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1cccc(N2CCCC2)c1)c1cccs1
InChIInChI=1S/C17H22N2S/c1-2-16(17-9-6-12-20-17)18-14-7-5-8-15(13-14)19-10-3-4-11-19/h5-9,12-13,16,18H,2-4,10-11H2,1H3
InChIKeyOOWKCZMZITYJIQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.91
Rot. Bonds5

About 3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline

3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline (PubChem CID 60943707) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline
PubChem CID60943707
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline
SMILESCCC(Nc1cccc(N2CCCC2)c1)c1cccs1
InChIInChI=1S/C17H22N2S/c1-2-16(17-9-6-12-20-17)18-14-7-5-8-15(13-14)19-10-3-4-11-19/h5-9,12-13,16,18H,2-4,10-11H2,1H3
InChIKeyOOWKCZMZITYJIQ-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908
N-[1-(3-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943943
N-(1-thiophen-2-ylpropyl)pyrrolidine-1-sulfonamide
CID 131924146
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
3-(1,3,4-oxadiazol-2-yl)-N-(1-thiophen-2-ylpropyl)aniline
CID 43206471
3-N,3-N,4-trimethyl-1-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 115377070
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylpropyl)aniline
CID 60936007
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549
N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
CID 54864439
4-cyclopentylsulfanyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43726275
2-bromo-4-(1-thiophen-2-ylpropylamino)benzonitrile
CID 107276105

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline (CID 60943707) is 3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline is CCC(Nc1cccc(N2CCCC2)c1)c1cccs1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline?
The InChIKey is OOWKCZMZITYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-16(17-9-6-12-20-17)18-14-7-5-8-15(13-14)19-10-3-4-11-19/h5-9,12-13,16,18H,2-4,10-11H2,1H3.
What are the key properties of 3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline?
3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline has a molecular weight of 286.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 60943707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).