2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine

C16H30N2OS — CID 115987892

IUPAC2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCSCC(C)N(C)Cc1cc(CNC(C)(C)C)c(C)o1
InChIInChI=1S/C16H30N2OS/c1-12(11-20-7)18(6)10-15-8-14(13(2)19-15)9-17-16(3,4)5/h8,12,17H,9-11H2,1-7H3
InChIKeyWIBQHEIENJOWFW-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.66
Rot. Bonds7

About 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 115987892) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID115987892
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCSCC(C)N(C)Cc1cc(CNC(C)(C)C)c(C)o1
InChIInChI=1S/C16H30N2OS/c1-12(11-20-7)18(6)10-15-8-14(13(2)19-15)9-17-16(3,4)5/h8,12,17H,9-11H2,1-7H3
InChIKeyWIBQHEIENJOWFW-UHFFFAOYSA-N
XLogP3.66
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62417562
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62463726
2-methyl-N-[[2-methyl-5-[[propan-2-yl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420500
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylcyclopropanamine
CID 55074921
N-[[4-[(tert-butylamino)methyl]-5-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438508
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62422752
N-[[5-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62420058
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62435944
N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62432854
N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62446188
N,3-dimethyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 55075046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine (CID 115987892) is 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine is CSCC(C)N(C)Cc1cc(CNC(C)(C)C)c(C)o1.
What is the InChIKey of 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is WIBQHEIENJOWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-12(11-20-7)18(6)10-15-8-14(13(2)19-15)9-17-16(3,4)5/h8,12,17H,9-11H2,1-7H3.
What are the key properties of 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 298.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 115987892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).