2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine

C15H28N2S — CID 107556095

IUPAC2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine
SMILESCNCc1ccc(CN(CC(C)C)CC(C)C)s1
InChIInChI=1S/C15H28N2S/c1-12(2)9-17(10-13(3)4)11-15-7-6-14(18-15)8-16-5/h6-7,12-13,16H,8-11H2,1-5H3
InChIKeyFWHSTFNJUUFYAW-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.58
Rot. Bonds8

About 2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine

2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine (PubChem CID 107556095) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine
PubChem CID107556095
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine
SMILESCNCc1ccc(CN(CC(C)C)CC(C)C)s1
InChIInChI=1S/C15H28N2S/c1-12(2)9-17(10-13(3)4)11-15-7-6-14(18-15)8-16-5/h6-7,12-13,16H,8-11H2,1-5H3
InChIKeyFWHSTFNJUUFYAW-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine
CID 107557209
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine
CID 107555940
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 107556485
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 24713261
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol
CID 24714016
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine
CID 107558021
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
CID 107557165
3-[(5-chlorothiophen-2-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 55028558
2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 62428024
N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
CID 107555759

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine (CID 107556095) is 2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine is CNCc1ccc(CN(CC(C)C)CC(C)C)s1.
What is the InChIKey of 2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
The InChIKey is FWHSTFNJUUFYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-12(2)9-17(10-13(3)4)11-15-7-6-14(18-15)8-16-5/h6-7,12-13,16H,8-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine?
2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine has a molecular weight of 268.47 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 107556095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).