(E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine

C12H20N2OS — CID 70536138

IUPAC(E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C/c1ccc(CSCCN)o1
InChIInChI=1S/C12H20N2OS/c1-14(2)8-3-4-11-5-6-12(15-11)10-16-9-7-13/h3-6H,7-10,13H2,1-2H3/b4-3+
InChIKeyCJZZTRJTPPZZPI-ONEGZZNKSA-N
MW240.37 g/mol
LogP2.05
Rot. Bonds7

About (E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine

(E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine (PubChem CID 70536138) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine
PubChem CID70536138
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine
SMILESCN(C)C/C=C/c1ccc(CSCCN)o1
InChIInChI=1S/C12H20N2OS/c1-14(2)8-3-4-11-5-6-12(15-11)10-16-9-7-13/h3-6H,7-10,13H2,1-2H3/b4-3+
InChIKeyCJZZTRJTPPZZPI-ONEGZZNKSA-N
XLogP2.05
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of (E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine (CID 70536138) is (E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine is CN(C)C/C=C/c1ccc(CSCCN)o1.
What is the InChIKey of (E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine?
The InChIKey is CJZZTRJTPPZZPI-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-14(2)8-3-4-11-5-6-12(15-11)10-16-9-7-13/h3-6H,7-10,13H2,1-2H3/b4-3+.
What are the key properties of (E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine?
(E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-aminoethylsulfanylmethyl)furan-2-yl]-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 70536138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).