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

C13H24N2OS — CID 112665475

IUPACN-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN(C)CCSC
InChIInChI=1S/C13H24N2OS/c1-4-6-14-10-12-5-8-16-13(12)11-15(2)7-9-17-3/h5,8,14H,4,6-7,9-11H2,1-3H3
InChIKeyMNHWFSSNUHPUMM-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.57
Rot. Bonds9

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

N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 112665475) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID112665475
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN(C)CCSC
InChIInChI=1S/C13H24N2OS/c1-4-6-14-10-12-5-8-16-13(12)11-15(2)7-9-17-3/h5,8,14H,4,6-7,9-11H2,1-3H3
InChIKeyMNHWFSSNUHPUMM-UHFFFAOYSA-N
XLogP2.57
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.57
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

N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
CID 63726681
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63008130
N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 112665693
N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62421351
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
2-methyl-N-[[3-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 112665532
N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-1-amine
CID 115987745
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682547
3-methoxy-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 63008845
N-[[2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62432136
N-ethyl-2-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62418025
3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62435794

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (CID 112665475) is N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1CN(C)CCSC.
What is the InChIKey of N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is MNHWFSSNUHPUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-6-14-10-12-5-8-16-13(12)11-15(2)7-9-17-3/h5,8,14H,4,6-7,9-11H2,1-3H3.
What are the key properties of N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 256.41 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 112665475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).