N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine

C16H24N2S — CID 79105617

IUPACN-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
SMILESCCCNC(CC)c1ccn(CCc2cccs2)c1
InChIInChI=1S/C16H24N2S/c1-3-9-17-16(4-2)14-7-10-18(13-14)11-8-15-6-5-12-19-15/h5-7,10,12-13,16-17H,3-4,8-9,11H2,1-2H3
InChIKeyZZDNHICVXQOGEB-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.24
Rot. Bonds8

About N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine

N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79105617) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79105617
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
SMILESCCCNC(CC)c1ccn(CCc2cccs2)c1
InChIInChI=1S/C16H24N2S/c1-3-9-17-16(4-2)14-7-10-18(13-14)11-8-15-6-5-12-19-15/h5-7,10,12-13,16-17H,3-4,8-9,11H2,1-2H3
InChIKeyZZDNHICVXQOGEB-UHFFFAOYSA-N
XLogP4.24
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79105246
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 114526215
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
1-[2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899275
5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
CID 79105888
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66405552
1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]butan-1-one
CID 79105630
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine (CID 79105617) is N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine is CCCNC(CC)c1ccn(CCc2cccs2)c1.
What is the InChIKey of N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is ZZDNHICVXQOGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-3-9-17-16(4-2)14-7-10-18(13-14)11-8-15-6-5-12-19-15/h5-7,10,12-13,16-17H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine?
N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).