N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine

C13H24N2S — CID 107555940

IUPACN-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)N(C)Cc1ccc(CNC)s1
InChIInChI=1S/C13H24N2S/c1-5-11(6-2)15(4)10-13-8-7-12(16-13)9-14-3/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyKJPGKMGWQKQKHG-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.09
Rot. Bonds7

About N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine

N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine (PubChem CID 107555940) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine
PubChem CID107555940
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)N(C)Cc1ccc(CNC)s1
InChIInChI=1S/C13H24N2S/c1-5-11(6-2)15(4)10-13-8-7-12(16-13)9-14-3/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyKJPGKMGWQKQKHG-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
CID 107555759
2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 107556095
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine
CID 55074902
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555623
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
CID 107557165
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 107556485
2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556414
1-cyclohexyl-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]methanamine
CID 107555360
1-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556231
N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
CID 107558120
N,N,2-trimethyl-1-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]propan-2-amine
CID 107559092

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine?
The IUPAC name of N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine (CID 107555940) is N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine.
What is the SMILES notation for N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine?
The canonical SMILES for N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine is CCC(CC)N(C)Cc1ccc(CNC)s1.
What is the InChIKey of N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine?
The InChIKey is KJPGKMGWQKQKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-11(6-2)15(4)10-13-8-7-12(16-13)9-14-3/h7-8,11,14H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine?
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine has a molecular weight of 240.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine is sourced from PubChem (CID 107555940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).