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

C13H17NOS — CID 106887380

IUPACN-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1csc(C)c1
InChIInChI=1S/C13H17NOS/c1-3-5-14-8-13-12(4-6-15-13)11-7-10(2)16-9-11/h4,6-7,9,14H,3,5,8H2,1-2H3
InChIKeyOWSBAEUYZMXITD-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.82
Rot. Bonds5

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

N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106887380) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
PubChem CID106887380
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1csc(C)c1
InChIInChI=1S/C13H17NOS/c1-3-5-14-8-13-12(4-6-15-13)11-7-10(2)16-9-11/h4,6-7,9,14H,3,5,8H2,1-2H3
InChIKeyOWSBAEUYZMXITD-UHFFFAOYSA-N
XLogP3.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine (CID 106887380) is N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1csc(C)c1.
What is the InChIKey of N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is OWSBAEUYZMXITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-5-14-8-13-12(4-6-15-13)11-7-10(2)16-9-11/h4,6-7,9,14H,3,5,8H2,1-2H3.
What are the key properties of N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106887380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).