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

C13H18N2S — CID 66406782

IUPACN-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(Cc2ccsc2)c1
InChIInChI=1S/C13H18N2S/c1-11(2)14-7-12-3-5-15(8-12)9-13-4-6-16-10-13/h3-6,8,10-11,14H,7,9H2,1-2H3
InChIKeyUZCFBZFQQDWIKE-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.10
Rot. Bonds5

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

N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 66406782) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
PubChem CID66406782
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccn(Cc2ccsc2)c1
InChIInChI=1S/C13H18N2S/c1-11(2)14-7-12-3-5-15(8-12)9-13-4-6-16-10-13/h3-6,8,10-11,14H,7,9H2,1-2H3
InChIKeyUZCFBZFQQDWIKE-UHFFFAOYSA-N
XLogP3.10
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405757
N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404949
N-[[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 114930907
N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 66397715
N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150573
N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66405552
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405951
2-fluoro-5-[[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 107883319
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405357
2-methoxy-5-[[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]methyl]benzonitrile
CID 66404758
N-[[1-[(2-nitrophenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404333
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404959

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine (CID 66406782) is N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine is CC(C)NCc1ccn(Cc2ccsc2)c1.
What is the InChIKey of N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is UZCFBZFQQDWIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-11(2)14-7-12-3-5-15(8-12)9-13-4-6-16-10-13/h3-6,8,10-11,14H,7,9H2,1-2H3.
What are the key properties of N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine?
N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66406782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).