1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine

C16H24N2S — CID 66415731

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
SMILESCCCn1ccc(CNC(C)c2cc(C)sc2C)c1
InChIInChI=1S/C16H24N2S/c1-5-7-18-8-6-15(11-18)10-17-13(3)16-9-12(2)19-14(16)4/h6,8-9,11,13,17H,5,7,10H2,1-4H3
InChIKeyVEJULDACRHSWOQ-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.43
Rot. Bonds6

About 1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine (PubChem CID 66415731) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
PubChem CID66415731
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
SMILESCCCn1ccc(CNC(C)c2cc(C)sc2C)c1
InChIInChI=1S/C16H24N2S/c1-5-7-18-8-6-15(11-18)10-17-13(3)16-9-12(2)19-14(16)4/h6,8-9,11,13,17H,5,7,10H2,1-4H3
InChIKeyVEJULDACRHSWOQ-UHFFFAOYSA-N
XLogP4.43
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 60790289
1-(5-fluoro-2-methoxyphenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66415533
(1S)-1-(4-fluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 81348106
4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]benzene-1,2-diol
CID 43432460
1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66400310
N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43737410
4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]benzoic acid
CID 62217801
(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401978
N-[(2,6-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43432404
1-(1,3-benzodioxol-5-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66413949
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine (CID 66415731) is 1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine is CCCn1ccc(CNC(C)c2cc(C)sc2C)c1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is VEJULDACRHSWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-5-7-18-8-6-15(11-18)10-17-13(3)16-9-12(2)19-14(16)4/h6,8-9,11,13,17H,5,7,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 276.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 66415731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).