N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine

C13H24N2S — CID 80728450

IUPACN-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1cc(CNCC)sc1C
InChIInChI=1S/C13H24N2S/c1-5-7-15(4)10-12-8-13(9-14-6-2)16-11(12)3/h8,14H,5-7,9-10H2,1-4H3
InChIKeyWMUPKWBEMCLXSK-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.01
Rot. Bonds7

About N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine

N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine (PubChem CID 80728450) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
PubChem CID80728450
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1cc(CNCC)sc1C
InChIInChI=1S/C13H24N2S/c1-5-7-15(4)10-12-8-13(9-14-6-2)16-11(12)3/h8,14H,5-7,9-10H2,1-4H3
InChIKeyWMUPKWBEMCLXSK-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine (CID 80728450) is N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine is CCCN(C)Cc1cc(CNCC)sc1C.
What is the InChIKey of N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is WMUPKWBEMCLXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-7-15(4)10-12-8-13(9-14-6-2)16-11(12)3/h8,14H,5-7,9-10H2,1-4H3.
What are the key properties of N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine?
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 80728450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).