N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine

C15H22N2S — CID 114196031

IUPACN-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(Cc2ccc(CC)s2)c1C
InChIInChI=1S/C15H22N2S/c1-4-14-6-7-15(18-14)11-17-9-8-13(12(17)3)10-16-5-2/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyNFKNEVOPKQHFBM-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.58
Rot. Bonds6

About N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine

N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine (PubChem CID 114196031) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine
PubChem CID114196031
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(Cc2ccc(CC)s2)c1C
InChIInChI=1S/C15H22N2S/c1-4-14-6-7-15(18-14)11-17-9-8-13(12(17)3)10-16-5-2/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyNFKNEVOPKQHFBM-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine (CID 114196031) is N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine is CCNCc1ccn(Cc2ccc(CC)s2)c1C.
What is the InChIKey of N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine?
The InChIKey is NFKNEVOPKQHFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-4-14-6-7-15(18-14)11-17-9-8-13(12(17)3)10-16-5-2/h6-9,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine?
N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine has a molecular weight of 262.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 114196031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).