N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine

C13H23NO2S — CID 82940790

IUPACN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1ccc(CSC)o1
InChIInChI=1S/C13H23NO2S/c1-3-8-15-9-4-7-14-10-12-5-6-13(16-12)11-17-2/h5-6,14H,3-4,7-11H2,1-2H3
InChIKeyUEHZEPFWBGSNHR-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.05
Rot. Bonds10

About N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine (PubChem CID 82940790) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
PubChem CID82940790
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1ccc(CSC)o1
InChIInChI=1S/C13H23NO2S/c1-3-8-15-9-4-7-14-10-12-5-6-13(16-12)11-17-2/h5-6,14H,3-4,7-11H2,1-2H3
InChIKeyUEHZEPFWBGSNHR-UHFFFAOYSA-N
XLogP3.05
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.05
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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Related Compounds

3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 43771289
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-N-propylpropanamide
CID 61060082
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729
N'-cyclopropyl-N'-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 62976641
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine (CID 82940790) is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine is CCCOCCCNCc1ccc(CSC)o1.
What is the InChIKey of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine?
The InChIKey is UEHZEPFWBGSNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-3-8-15-9-4-7-14-10-12-5-6-13(16-12)11-17-2/h5-6,14H,3-4,7-11H2,1-2H3.
What are the key properties of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine?
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82940790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).