6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C12H19NS — CID 82028255

IUPAC6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCC(C)(C)C1CCc2cc(N)sc2C1
InChIInChI=1S/C12H19NS/c1-12(2,3)9-5-4-8-6-11(13)14-10(8)7-9/h6,9H,4-5,7,13H2,1-3H3
InChIKeyYEMFKMWKQJVMME-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.48
Rot. Bonds

About 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 82028255) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID82028255
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCC(C)(C)C1CCc2cc(N)sc2C1
InChIInChI=1S/C12H19NS/c1-12(2,3)9-5-4-8-6-11(13)14-10(8)7-9/h6,9H,4-5,7,13H2,1-3H3
InChIKeyYEMFKMWKQJVMME-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 82028255) is 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is CC(C)(C)C1CCc2cc(N)sc2C1.
What is the InChIKey of 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is YEMFKMWKQJVMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-12(2,3)9-5-4-8-6-11(13)14-10(8)7-9/h6,9H,4-5,7,13H2,1-3H3.
What are the key properties of 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 82028255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).