N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine

C16H19NO2S — CID 19917036

IUPACN-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESC(=C/c1ccsc1)\COCc1ccc(CNC2CC2)o1
InChIInChI=1S/C16H19NO2S/c1(2-13-7-9-20-12-13)8-18-11-16-6-5-15(19-16)10-17-14-3-4-14/h1-2,5-7,9,12,14,17H,3-4,8,10-11H2/b2-1+
InChIKeyJJMFDPGTKPABEJ-OWOJBTEDSA-N
MW289.40 g/mol
LogP3.82
Rot. Bonds8

About N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 19917036) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID19917036
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESC(=C/c1ccsc1)\COCc1ccc(CNC2CC2)o1
InChIInChI=1S/C16H19NO2S/c1(2-13-7-9-20-12-13)8-18-11-16-6-5-15(19-16)10-17-14-3-4-14/h1-2,5-7,9,12,14,17H,3-4,8,10-11H2/b2-1+
InChIKeyJJMFDPGTKPABEJ-OWOJBTEDSA-N
XLogP3.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-methyl-1-[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methanamine
CID 19917104
N-cyclopropyl-N-methyl-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-amine
CID 67806745
N-[[5-(3-phenylprop-2-enoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 76943781
N-[[5-[2-[di(propan-2-yl)amino]ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 115505831
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[[5-(butan-2-yloxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62454835
N-[(5-cyclopropylfuran-2-yl)methyl]cyclopropanamine
CID 106886992
2-[(1E,4E)-2-(methoxymethyl)-8,8-dimethylnona-1,4-dien-6-ynyl]-5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan
CID 19390200
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylcyclobutan-1-amine
CID 115711073
N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62454708
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62484968

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine (CID 19917036) is N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine is C(=C/c1ccsc1)\COCc1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is JJMFDPGTKPABEJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H19NO2S/c1(2-13-7-9-20-12-13)8-18-11-16-6-5-15(19-16)10-17-14-3-4-14/h1-2,5-7,9,12,14,17H,3-4,8,10-11H2/b2-1+.
What are the key properties of N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 289.40 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(E)-3-thiophen-3-ylprop-2-enoxy]methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 19917036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).