1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine

C8H12INS — CID 114979107

IUPAC1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1csc(I)c1
InChIInChI=1S/C8H12INS/c1-5(2)8(10)6-3-7(9)11-4-6/h3-5,8H,10H2,1-2H3
InChIKeySTUXAWBWILTATI-UHFFFAOYSA-N
MW281.16 g/mol
LogP3.01
Rot. Bonds2

About 1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine

1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine (PubChem CID 114979107) has the molecular formula C8H12INS and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine
PubChem CID114979107
Molecular FormulaC8H12INS
Molecular Weight281.16 g/mol
Exact Mass280.97
IUPAC Name1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1csc(I)c1
InChIInChI=1S/C8H12INS/c1-5(2)8(10)6-3-7(9)11-4-6/h3-5,8H,10H2,1-2H3
InChIKeySTUXAWBWILTATI-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-iodothiophen-3-yl)-2-methylpentan-1-amine
CID 107893890
1-(5-iodothiophen-3-yl)propan-1-amine
CID 114980142
[1-(5-iodothiophen-3-yl)-2,2-dimethylpropyl]hydrazine
CID 105305371
(3-bromo-5-methylthiophen-2-yl)-(5-iodothiophen-3-yl)methanamine
CID 79693206
1-(5-iodothiophen-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 79693386
(5-iodothiophen-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006630
(5-iodothiophen-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 130530394
(5-iodothiophen-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 79684536
2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115847501
1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
(5-iodothiophen-3-yl)-pyrazin-2-ylmethanamine
CID 115860644
(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
CID 55293890

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine (CID 114979107) is 1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine is CC(C)C(N)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine?
The InChIKey is STUXAWBWILTATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12INS/c1-5(2)8(10)6-3-7(9)11-4-6/h3-5,8H,10H2,1-2H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine?
1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine has a molecular weight of 281.16 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 114979107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).