N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine

C16H24N2OS — CID 80728052

IUPACN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)Cc2ccoc2)c(C)s1
InChIInChI=1S/C16H24N2OS/c1-4-6-17-9-16-8-15(13(2)20-16)11-18(3)10-14-5-7-19-12-14/h5,7-8,12,17H,4,6,9-11H2,1-3H3
InChIKeyOVAIPJSANNOXBM-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.78
Rot. Bonds8

About N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine

N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine (PubChem CID 80728052) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
PubChem CID80728052
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)Cc2ccoc2)c(C)s1
InChIInChI=1S/C16H24N2OS/c1-4-6-17-9-16-8-15(13(2)20-16)11-18(3)10-14-5-7-19-12-14/h5,7-8,12,17H,4,6,9-11H2,1-3H3
InChIKeyOVAIPJSANNOXBM-UHFFFAOYSA-N
XLogP3.78
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80727288
N-[[5-methyl-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727702
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
CID 80727545
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 81067740
N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80727596
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
CID 80728450
N,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]butan-2-amine
CID 80728121
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 61422704
N-[[5-methyl-4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80720043
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 55072431
N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728370

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine (CID 80728052) is N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN(C)Cc2ccoc2)c(C)s1.
What is the InChIKey of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The InChIKey is OVAIPJSANNOXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-6-17-9-16-8-15(13(2)20-16)11-18(3)10-14-5-7-19-12-14/h5,7-8,12,17H,4,6,9-11H2,1-3H3.
What are the key properties of N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 80728052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).