6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine

C12H19NS — CID 112716428

IUPAC6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
SMILESCC(C)c1cc2c(s1)C(N)C(C)CC2
InChIInChI=1S/C12H19NS/c1-7(2)10-6-9-5-4-8(3)11(13)12(9)14-10/h6-8,11H,4-5,13H2,1-3H3
InChIKeyQEOGELLCJGZASM-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.45
Rot. Bonds1

About 6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine

6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine (PubChem CID 112716428) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
PubChem CID112716428
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
SMILESCC(C)c1cc2c(s1)C(N)C(C)CC2
InChIInChI=1S/C12H19NS/c1-7(2)10-6-9-5-4-8(3)11(13)12(9)14-10/h6-8,11H,4-5,13H2,1-3H3
InChIKeyQEOGELLCJGZASM-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine?
The IUPAC name of 6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine (CID 112716428) is 6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine?
The canonical SMILES for 6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine is CC(C)c1cc2c(s1)C(N)C(C)CC2.
What is the InChIKey of 6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine?
The InChIKey is QEOGELLCJGZASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-7(2)10-6-9-5-4-8(3)11(13)12(9)14-10/h6-8,11H,4-5,13H2,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine?
6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine has a molecular weight of 209.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine is sourced from PubChem (CID 112716428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).