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

C14H20N2S — CID 79105246

IUPACN-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(Cc2cccs2)c1
InChIInChI=1S/C14H20N2S/c1-3-14(15-4-2)12-7-8-16(10-12)11-13-6-5-9-17-13/h5-10,14-15H,3-4,11H2,1-2H3
InChIKeyBIDNPUMEDLQSFH-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.66
Rot. Bonds6

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

N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79105246) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79105246
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(Cc2cccs2)c1
InChIInChI=1S/C14H20N2S/c1-3-14(15-4-2)12-7-8-16(10-12)11-13-6-5-9-17-13/h5-10,14-15H,3-4,11H2,1-2H3
InChIKeyBIDNPUMEDLQSFH-UHFFFAOYSA-N
XLogP3.66
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105617
N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104817
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]-N-ethylpropan-1-amine
CID 104801330
N-ethyl-1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105159
N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105165
N-ethyl-1-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 107045562
N-ethyl-1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79109628
N-ethyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104903
1-[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108463
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]-N-ethylpropan-1-amine
CID 106865936
N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109742
N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine (CID 79105246) is N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine is CCNC(CC)c1ccn(Cc2cccs2)c1.
What is the InChIKey of N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is BIDNPUMEDLQSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-3-14(15-4-2)12-7-8-16(10-12)11-13-6-5-9-17-13/h5-10,14-15H,3-4,11H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine?
N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 248.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(thiophen-2-ylmethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).