1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine

C13H21NOS — CID 107270073

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
SMILESCSC1(CNC(C)c2cc(C)oc2C)CC1
InChIInChI=1S/C13H21NOS/c1-9-7-12(11(3)15-9)10(2)14-8-13(16-4)5-6-13/h7,10,14H,5-6,8H2,1-4H3
InChIKeyFZKOXFZEAYJZGK-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.44
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine

1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine (PubChem CID 107270073) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
PubChem CID107270073
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
SMILESCSC1(CNC(C)c2cc(C)oc2C)CC1
InChIInChI=1S/C13H21NOS/c1-9-7-12(11(3)15-9)10(2)14-8-13(16-4)5-6-13/h7,10,14H,5-6,8H2,1-4H3
InChIKeyFZKOXFZEAYJZGK-UHFFFAOYSA-N
XLogP3.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 107093854
1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270109
4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol
CID 107270122
1-(2,5-dimethylfuran-3-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981125
2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070871
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
1-(2,3-difluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107269897
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
CID 64913851
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937
3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide
CID 77031154
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
1-(2,5-dimethylfuran-3-yl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 107093826

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine (CID 107270073) is 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine is CSC1(CNC(C)c2cc(C)oc2C)CC1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
The InChIKey is FZKOXFZEAYJZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-7-12(11(3)15-9)10(2)14-8-13(16-4)5-6-13/h7,10,14H,5-6,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 107270073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).