1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine

C14H20N2S — CID 66405473

IUPAC1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1CCc1ccsc1
InChIInChI=1S/C14H20N2S/c1-2-13(15)10-14-4-3-7-16(14)8-5-12-6-9-17-11-12/h3-4,6-7,9,11,13H,2,5,8,10,15H2,1H3
InChIKeyXHTCWYWFWNIXRQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.07
Rot. Bonds6

About 1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine

1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine (PubChem CID 66405473) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine
PubChem CID66405473
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1CCc1ccsc1
InChIInChI=1S/C14H20N2S/c1-2-13(15)10-14-4-3-7-16(14)8-5-12-6-9-17-11-12/h3-4,6-7,9,11,13H,2,5,8,10,15H2,1H3
InChIKeyXHTCWYWFWNIXRQ-UHFFFAOYSA-N
XLogP3.07
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400811
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66406093
1-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-2-yl]butan-2-amine
CID 66404052
4-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55236410
3-(2-isocyanatobutyl)thiophene;1-thiophen-3-ylbutan-2-amine
CID 158397778
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-2-yl]butan-2-amine
CID 107887334
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405681
N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine
CID 62132424
1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66404468
1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
CID 112651314
phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine
CID 114705145
5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80633966

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine (CID 66405473) is 1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1CCc1ccsc1.
What is the InChIKey of 1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine?
The InChIKey is XHTCWYWFWNIXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-2-13(15)10-14-4-3-7-16(14)8-5-12-6-9-17-11-12/h3-4,6-7,9,11,13H,2,5,8,10,15H2,1H3.
What are the key properties of 1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine?
1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine is sourced from PubChem (CID 66405473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).