3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine

C11H17NS — CID 59936989

IUPAC3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine
SMILESCC(C)=CNc1sc(C)c(C)c1C
InChIInChI=1S/C11H17NS/c1-7(2)6-12-11-9(4)8(3)10(5)13-11/h6,12H,1-5H3
InChIKeyLPOMHAZUFWWWIC-UHFFFAOYSA-N
MW195.33 g/mol
LogP4.01
Rot. Bonds2

About 3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine

3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine (PubChem CID 59936989) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine.

Molecular Properties

Compound Name3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine
PubChem CID59936989
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine
SMILESCC(C)=CNc1sc(C)c(C)c1C
InChIInChI=1S/C11H17NS/c1-7(2)6-12-11-9(4)8(3)10(5)13-11/h6,12H,1-5H3
InChIKeyLPOMHAZUFWWWIC-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine?
The IUPAC name of 3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine (CID 59936989) is 3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine.
What is the SMILES notation for 3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine?
The canonical SMILES for 3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine is CC(C)=CNc1sc(C)c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine?
The InChIKey is LPOMHAZUFWWWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-7(2)6-12-11-9(4)8(3)10(5)13-11/h6,12H,1-5H3.
What are the key properties of 3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine?
3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine has a molecular weight of 195.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine is sourced from PubChem (CID 59936989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).