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

C12H22N2OS — CID 112665740

IUPACN-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)Cc1cc(CN)co1
InChIInChI=1S/C12H22N2OS/c1-4-11(9-16-3)14(2)7-12-5-10(6-13)8-15-12/h5,8,11H,4,6-7,9,13H2,1-3H3
InChIKeyQBCNKNPMYFNRJL-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.31
Rot. Bonds7

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

N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine (PubChem CID 112665740) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
PubChem CID112665740
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)N(C)Cc1cc(CN)co1
InChIInChI=1S/C12H22N2OS/c1-4-11(9-16-3)14(2)7-12-5-10(6-13)8-15-12/h5,8,11H,4,6-7,9,13H2,1-3H3
InChIKeyQBCNKNPMYFNRJL-UHFFFAOYSA-N
XLogP2.31
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(aminomethyl)furan-2-yl]methyl]-N-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-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 112665767
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422969
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 62421990
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485851
2-chloro-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]aniline
CID 112661035
N'-[[4-(aminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62437052
N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline
CID 62435627
5-[[methyl(pentan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 62268700
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline
CID 55074123
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112657232
N-[[2-(2-aminoethyl)phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661017
N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 115987804

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine (CID 112665740) is N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine is CCC(CSC)N(C)Cc1cc(CN)co1.
What is the InChIKey of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The InChIKey is QBCNKNPMYFNRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-11(9-16-3)14(2)7-12-5-10(6-13)8-15-12/h5,8,11H,4,6-7,9,13H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine?
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 112665740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).