N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine

C16H28N2OS — CID 115987804

IUPACN-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCC(CSC)N(C)Cc1cc(C)c(CNC2CC2)o1
InChIInChI=1S/C16H28N2OS/c1-5-14(11-20-4)18(3)10-15-8-12(2)16(19-15)9-17-13-6-7-13/h8,13-14,17H,5-7,9-11H2,1-4H3
InChIKeyQPOOAYBOLDWYKU-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.41
Rot. Bonds9

About N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine

N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 115987804) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID115987804
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCC(CSC)N(C)Cc1cc(C)c(CNC2CC2)o1
InChIInChI=1S/C16H28N2OS/c1-5-14(11-20-4)18(3)10-15-8-12(2)16(19-15)9-17-13-6-7-13/h8,13-14,17H,5-7,9-11H2,1-4H3
InChIKeyQPOOAYBOLDWYKU-UHFFFAOYSA-N
XLogP3.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(dimethylamino)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62418013
N-[[3-methyl-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431361
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421419
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 63940268
N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62440078
N-[[5-[(cyclopropylamino)methyl]-4-methylfuran-2-yl]methyl]-N-ethylaniline
CID 62424504
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62434715
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62463688
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453241
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 112665767

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine (CID 115987804) is N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine is CCC(CSC)N(C)Cc1cc(C)c(CNC2CC2)o1.
What is the InChIKey of N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is QPOOAYBOLDWYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-14(11-20-4)18(3)10-15-8-12(2)16(19-15)9-17-13-6-7-13/h8,13-14,17H,5-7,9-11H2,1-4H3.
What are the key properties of N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 296.48 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 115987804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).