N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine

C13H16N2S — CID 64686739

IUPACN-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
SMILESc1csc(Cn2cccc2CNC2CC2)c1
InChIInChI=1S/C13H16N2S/c1-3-12(9-14-11-5-6-11)15(7-1)10-13-4-2-8-16-13/h1-4,7-8,11,14H,5-6,9-10H2
InChIKeyBCLVOHQLJFLKKL-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.85
Rot. Bonds5

About N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 64686739) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID64686739
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
SMILESc1csc(Cn2cccc2CNC2CC2)c1
InChIInChI=1S/C13H16N2S/c1-3-12(9-14-11-5-6-11)15(7-1)10-13-4-2-8-16-13/h1-4,7-8,11,14H,5-6,9-10H2
InChIKeyBCLVOHQLJFLKKL-UHFFFAOYSA-N
XLogP2.85
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine (CID 64686739) is N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine is c1csc(Cn2cccc2CNC2CC2)c1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is BCLVOHQLJFLKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-12(9-14-11-5-6-11)15(7-1)10-13-4-2-8-16-13/h1-4,7-8,11,14H,5-6,9-10H2.
What are the key properties of N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 232.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64686739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).