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

C14H20N2S — CID 66405552

IUPACN-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(CCc2cccs2)c1
InChIInChI=1S/C14H20N2S/c1-12(2)15-10-13-5-7-16(11-13)8-6-14-4-3-9-17-14/h3-5,7,9,11-12,15H,6,8,10H2,1-2H3
InChIKeyPPHNRNQCQVASRC-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.29
Rot. Bonds6

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

N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 66405552) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
PubChem CID66405552
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(CCc2cccs2)c1
InChIInChI=1S/C14H20N2S/c1-12(2)15-10-13-5-7-16(11-13)8-6-14-4-3-9-17-14/h3-5,7,9,11-12,15H,6,8,10H2,1-2H3
InChIKeyPPHNRNQCQVASRC-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 ≤ 500248.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 114196068
N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105617
N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406782
N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
CID 66405145
N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 106455297
N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114930907
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
1-cyclopentyl-N-[(1-ethylpyrrol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 66414954
1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]butan-1-one
CID 79105630
N,1,3-trimethyl-4-[(propan-2-ylamino)methyl]-N-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 79488921
2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66407049

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine (CID 66405552) is N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine is CC(C)NCc1ccn(CCc2cccs2)c1.
What is the InChIKey of N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is PPHNRNQCQVASRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-12(2)15-10-13-5-7-16(11-13)8-6-14-4-3-9-17-14/h3-5,7,9,11-12,15H,6,8,10H2,1-2H3.
What are the key properties of N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine?
N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 248.39 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-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66405552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).