1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine

C11H16INS — CID 105005326

IUPAC1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1csc(I)c1
InChIInChI=1S/C11H16INS/c1-4-5-13-11(8(2)3)9-6-10(12)14-7-9/h6-7,11,13H,2,4-5H2,1,3H3
InChIKeyAZODYMDWZNEJGD-UHFFFAOYSA-N
MW321.23 g/mol
LogP3.97
Rot. Bonds5

About 1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine

1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 105005326) has the molecular formula C11H16INS and a molecular weight of 321.23 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID105005326
Molecular FormulaC11H16INS
Molecular Weight321.23 g/mol
Exact Mass321.00
IUPAC Name1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1csc(I)c1
InChIInChI=1S/C11H16INS/c1-4-5-13-11(8(2)3)9-6-10(12)14-7-9/h6-7,11,13H,2,4-5H2,1,3H3
InChIKeyAZODYMDWZNEJGD-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine
CID 105005415
1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163785
1-(2,6-dimethyl-4-pyridinyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107504040
1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine
CID 115837319
N-[(3-fluorophenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 115791930
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691128
N-[(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79747223
1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
CID 115859344
N-[(5-iodothiophen-3-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 79692841
1-(3-bromophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79190724
N-[1-(5-iodothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 115828885
N-[(3,5-dimethylthiophen-2-yl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 81156181

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine (CID 105005326) is 1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is AZODYMDWZNEJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INS/c1-4-5-13-11(8(2)3)9-6-10(12)14-7-9/h6-7,11,13H,2,4-5H2,1,3H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine?
1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 321.23 g/mol, XLogP of 3.97, 5 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-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105005326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).