2-tert-butylthiophene;methanamine

C9H17NS — CID 143976463

IUPAC2-tert-butylthiophene;methanamine
SMILESCC(C)(C)c1cccs1.CN
InChIInChI=1S/C8H12S.CH5N/c1-8(2,3)7-5-4-6-9-7;1-2/h4-6H,1-3H3;2H2,1H3
InChIKeyXBFZVGVHUDCGJM-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.62
Rot. Bonds

About 2-tert-butylthiophene;methanamine

2-tert-butylthiophene;methanamine (PubChem CID 143976463) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-tert-butylthiophene;methanamine.

Molecular Properties

Compound Name2-tert-butylthiophene;methanamine
PubChem CID143976463
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-tert-butylthiophene;methanamine
SMILESCC(C)(C)c1cccs1.CN
InChIInChI=1S/C8H12S.CH5N/c1-8(2,3)7-5-4-6-9-7;1-2/h4-6H,1-3H3;2H2,1H3
InChIKeyXBFZVGVHUDCGJM-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[chloro(difluoro)methyl]thiophene
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2-(1-chloro-2-methylpropan-2-yl)thiophene
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CID 83690309
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylthiophene;methanamine?
The IUPAC name of 2-tert-butylthiophene;methanamine (CID 143976463) is 2-tert-butylthiophene;methanamine.
What is the SMILES notation for 2-tert-butylthiophene;methanamine?
The canonical SMILES for 2-tert-butylthiophene;methanamine is CC(C)(C)c1cccs1.CN.
What is the InChIKey of 2-tert-butylthiophene;methanamine?
The InChIKey is XBFZVGVHUDCGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S.CH5N/c1-8(2,3)7-5-4-6-9-7;1-2/h4-6H,1-3H3;2H2,1H3.
What are the key properties of 2-tert-butylthiophene;methanamine?
2-tert-butylthiophene;methanamine has a molecular weight of 171.31 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylthiophene;methanamine is sourced from PubChem (CID 143976463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).