N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine

C16H24N2OS — CID 80727596

IUPACN-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2ccoc2C)c(C)s1
InChIInChI=1S/C16H24N2OS/c1-5-17-9-16-8-15(13(3)20-16)11-18(4)10-14-6-7-19-12(14)2/h6-8,17H,5,9-11H2,1-4H3
InChIKeyYSRGEUBJBUCVRJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.70
Rot. Bonds7

About N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine

N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 80727596) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID80727596
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2ccoc2C)c(C)s1
InChIInChI=1S/C16H24N2OS/c1-5-17-9-16-8-15(13(3)20-16)11-18(4)10-14-6-7-19-12(14)2/h6-8,17H,5,9-11H2,1-4H3
InChIKeyYSRGEUBJBUCVRJ-UHFFFAOYSA-N
XLogP3.70
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728370
N-[[5-methyl-4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80720043
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
CID 80728450
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80727884
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728608
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413591
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
CID 80727866
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62557063
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80727288
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80728052
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N,4,4-trimethylcyclohexan-1-amine
CID 80719822
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 80728044

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine (CID 80727596) is N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1cc(CN(C)Cc2ccoc2C)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is YSRGEUBJBUCVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-5-17-9-16-8-15(13(3)20-16)11-18(4)10-14-6-7-19-12(14)2/h6-8,17H,5,9-11H2,1-4H3.
What are the key properties of N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 292.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80727596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).