N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine

C14H20N2S — CID 79605490

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCn1c(C)cc(CNCc2ccsc2)c1C
InChIInChI=1S/C14H20N2S/c1-4-16-11(2)7-14(12(16)3)9-15-8-13-5-6-17-10-13/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyKHQMSSDWVUMBON-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.48
Rot. Bonds5

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 79605490) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID79605490
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCn1c(C)cc(CNCc2ccsc2)c1C
InChIInChI=1S/C14H20N2S/c1-4-16-11(2)7-14(12(16)3)9-15-8-13-5-6-17-10-13/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyKHQMSSDWVUMBON-UHFFFAOYSA-N
XLogP3.48
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine (CID 79605490) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine is CCn1c(C)cc(CNCc2ccsc2)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is KHQMSSDWVUMBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-4-16-11(2)7-14(12(16)3)9-15-8-13-5-6-17-10-13/h5-7,10,15H,4,8-9H2,1-3H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 248.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 79605490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).