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

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

1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
4-[2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]ethyl]phenol
CID 79605084
N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60956605
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626535
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 79604523
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
CID 79605383
4-[(dimethylamino)methyl]-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]aniline
CID 79612301
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63247799
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 79604325
N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 4792482
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 66399003

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).