N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

C15H28N2S — CID 80727183

IUPACN-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)Cc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C15H28N2S/c1-7-17(8-2)11-13-9-14(18-12(13)3)10-16-15(4,5)6/h9,16H,7-8,10-11H2,1-6H3
InChIKeyFUCFHNKRMYWBPD-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.79
Rot. Bonds6

About N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 80727183) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID80727183
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)Cc1cc(CNC(C)(C)C)sc1C
InChIInChI=1S/C15H28N2S/c1-7-17(8-2)11-13-9-14(18-12(13)3)10-16-15(4,5)6/h9,16H,7-8,10-11H2,1-6H3
InChIKeyFUCFHNKRMYWBPD-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 80727183) is N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is CCN(CC)Cc1cc(CNC(C)(C)C)sc1C.
What is the InChIKey of N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is FUCFHNKRMYWBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-7-17(8-2)11-13-9-14(18-12(13)3)10-16-15(4,5)6/h9,16H,7-8,10-11H2,1-6H3.
What are the key properties of N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 268.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80727183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).