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

C14H20N2S — CID 66400811

IUPACN-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccn1CCc1ccsc1
InChIInChI=1S/C14H20N2S/c1-12(2)15-10-14-4-3-7-16(14)8-5-13-6-9-17-11-13/h3-4,6-7,9,11-12,15H,5,8,10H2,1-2H3
InChIKeyIIVHLCMJVLJLLX-UHFFFAOYSA-N
MW248.40 g/mol
LogP3.29
Rot. Bonds6

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

N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 66400811) has the molecular formula C14H20N2S and a molecular weight of 248.40 g/mol. Its IUPAC name is N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
PubChem CID66400811
Molecular FormulaC14H20N2S
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC NameN-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccn1CCc1ccsc1
InChIInChI=1S/C14H20N2S/c1-12(2)15-10-14-4-3-7-16(14)8-5-13-6-9-17-11-13/h3-4,6-7,9,11-12,15H,5,8,10H2,1-2H3
InChIKeyIIVHLCMJVLJLLX-UHFFFAOYSA-N
XLogP3.29
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine
CID 66405473
methyl 4-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]butanoate
CID 66403352
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401991
N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400804
N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine
CID 62132424
N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150573
N-[[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 105405116
N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406782
4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole
CID 83163450
N-ethyl-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66401597
N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine
CID 115954535

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine (CID 66400811) is N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine is CC(C)NCc1cccn1CCc1ccsc1.
What is the InChIKey of N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is IIVHLCMJVLJLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-12(2)15-10-14-4-3-7-16(14)8-5-13-6-9-17-11-13/h3-4,6-7,9,11-12,15H,5,8,10H2,1-2H3.
What are the key properties of N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine?
N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 248.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66400811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).