2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine

C14H26N2OS — CID 112665532

IUPAC2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCSCCN(C)Cc1ccoc1CNCC(C)C
InChIInChI=1S/C14H26N2OS/c1-12(2)9-15-10-14-13(5-7-17-14)11-16(3)6-8-18-4/h5,7,12,15H,6,8-11H2,1-4H3
InChIKeySWPUBUDHBQXRFF-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.82
Rot. Bonds9

About 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine

2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 112665532) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID112665532
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCSCCN(C)Cc1ccoc1CNCC(C)C
InChIInChI=1S/C14H26N2OS/c1-12(2)9-15-10-14-13(5-7-17-14)11-16(3)6-8-18-4/h5,7,12,15H,6,8-11H2,1-4H3
InChIKeySWPUBUDHBQXRFF-UHFFFAOYSA-N
XLogP2.82
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-methyl-N-[[2-[(2-methylpropylamino)methyl]furan-3-yl]methyl]cyclopentanamine
CID 62419680
N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 112665475
N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine
CID 62462555
2-methyl-N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 63274846
2-methyl-N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62426254
N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432117
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N'-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62426635
2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441488
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline
CID 62435869
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604
2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (CID 112665532) is 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is CSCCN(C)Cc1ccoc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is SWPUBUDHBQXRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12(2)9-15-10-14-13(5-7-17-14)11-16(3)6-8-18-4/h5,7,12,15H,6,8-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 112665532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).