N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine

C15H22N2S — CID 79102565

IUPACN-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1Cc1ccc(CC)s1
InChIInChI=1S/C15H22N2S/c1-4-13-8-9-14(18-13)11-17-10-6-7-15(17)12(3)16-5-2/h6-10,12,16H,4-5,11H2,1-3H3
InChIKeyMQFPOWPSSONNQD-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.83
Rot. Bonds6

About N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine

N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79102565) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79102565
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCCNC(C)c1cccn1Cc1ccc(CC)s1
InChIInChI=1S/C15H22N2S/c1-4-13-8-9-14(18-13)11-17-10-6-7-15(17)12(3)16-5-2/h6-10,12,16H,4-5,11H2,1-3H3
InChIKeyMQFPOWPSSONNQD-UHFFFAOYSA-N
XLogP3.83
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
CID 79102060
N-ethyl-1-[1-(2-ethylbutyl)pyrrol-2-yl]ethanamine
CID 82928164
N-ethyl-1-[1-(2-phenylethyl)pyrrol-2-yl]ethanamine
CID 79102162
4-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]butan-1-ol
CID 79101966
N-ethyl-1-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79101759
propan-2-yl 2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetate
CID 79102262
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrrol-2-yl]ethanamine
CID 79227337
1-[1-[(2-bromo-4-nitrophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
CID 79108509
N-ethyl-1-[1-[(3-nitrophenyl)methyl]pyrrol-2-yl]ethanamine
CID 79102455
4-[[2-[1-(ethylamino)ethyl]pyrrol-1-yl]methyl]-3-methylbenzonitrile
CID 114485043
N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 103136333

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine (CID 79102565) is N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine is CCNC(C)c1cccn1Cc1ccc(CC)s1.
What is the InChIKey of N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is MQFPOWPSSONNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-4-13-8-9-14(18-13)11-17-10-6-7-15(17)12(3)16-5-2/h6-10,12,16H,4-5,11H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine?
N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 262.42 g/mol, XLogP of 3.83, 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-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).