N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine

C12H15NOS — CID 106886915

IUPACN-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cccs1
InChIInChI=1S/C12H15NOS/c1-2-6-13-9-11-10(5-7-14-11)12-4-3-8-15-12/h3-5,7-8,13H,2,6,9H2,1H3
InChIKeyJOCHKURQDQPQIP-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.51
Rot. Bonds5

About N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine

N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine (PubChem CID 106886915) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
PubChem CID106886915
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC NameN-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cccs1
InChIInChI=1S/C12H15NOS/c1-2-6-13-9-11-10(5-7-14-11)12-4-3-8-15-12/h3-5,7-8,13H,2,6,9H2,1H3
InChIKeyJOCHKURQDQPQIP-UHFFFAOYSA-N
XLogP3.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.51
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-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine (CID 106886915) is N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine is CCCNCc1occc1-c1cccs1.
What is the InChIKey of N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is JOCHKURQDQPQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-2-6-13-9-11-10(5-7-14-11)12-4-3-8-15-12/h3-5,7-8,13H,2,6,9H2,1H3.
What are the key properties of N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine?
N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 106886915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).