N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine

C13H24N2OS — CID 112665767

IUPACN-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)Cc1cc(CNC)co1
InChIInChI=1S/C13H24N2OS/c1-5-12(10-17-4)15(3)8-13-6-11(7-14-2)9-16-13/h6,9,12,14H,5,7-8,10H2,1-4H3
InChIKeyAXOFQXFXXXKUTK-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.57
Rot. Bonds8

About N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine

N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine (PubChem CID 112665767) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
PubChem CID112665767
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)Cc1cc(CNC)co1
InChIInChI=1S/C13H24N2OS/c1-5-12(10-17-4)15(3)8-13-6-11(7-14-2)9-16-13/h6,9,12,14H,5,7-8,10H2,1-4H3
InChIKeyAXOFQXFXXXKUTK-UHFFFAOYSA-N
XLogP2.57
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Analyze N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112665740
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62419547
N,4-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]pentan-2-amine
CID 62463388
N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62420328
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433190
N-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 115987823
N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62438809
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpentan-2-amine
CID 55074909
1-[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462911
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987810
N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79488811
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665980

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine (CID 112665767) is N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)N(C)Cc1cc(CNC)co1.
What is the InChIKey of N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is AXOFQXFXXXKUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-12(10-17-4)15(3)8-13-6-11(7-14-2)9-16-13/h6,9,12,14H,5,7-8,10H2,1-4H3.
What are the key properties of N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine?
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 112665767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).