1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine

C12H16INS — CID 115859344

IUPAC1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1csc(I)c1
InChIInChI=1S/C12H16INS/c1-3-5-6-11(14-7-4-2)10-8-12(13)15-9-10/h1,8-9,11,14H,4-7H2,2H3
InChIKeyCHARDACXXWIGHB-UHFFFAOYSA-N
MW333.24 g/mol
LogP3.81
Rot. Bonds6

About 1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine

1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine (PubChem CID 115859344) has the molecular formula C12H16INS and a molecular weight of 333.24 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
PubChem CID115859344
Molecular FormulaC12H16INS
Molecular Weight333.24 g/mol
Exact Mass333.00
IUPAC Name1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1csc(I)c1
InChIInChI=1S/C12H16INS/c1-3-5-6-11(14-7-4-2)10-8-12(13)15-9-10/h1,8-9,11,14H,4-7H2,2H3
InChIKeyCHARDACXXWIGHB-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodothiophen-3-yl)-N-propylhexan-1-amine
CID 115837319
1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine
CID 105333506
N-[1-(5-iodothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 115828885
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859366
N-[2-(3-chloro-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 102866714
1-(5-bromothiophen-3-yl)-N-propylbut-3-yn-1-amine
CID 105077694
1-(4-chloro-3-methylphenyl)-N-propylpent-4-yn-1-amine
CID 115859351
N-[2-(2-chloro-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 102622498
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691128
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
CID 115859639
N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine
CID 104995710

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine (CID 115859344) is 1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine is C#CCCC(NCCC)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine?
The InChIKey is CHARDACXXWIGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INS/c1-3-5-6-11(14-7-4-2)10-8-12(13)15-9-10/h1,8-9,11,14H,4-7H2,2H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine?
1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine has a molecular weight of 333.24 g/mol, XLogP of 3.81, 6 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)-N-propylpent-4-yn-1-amine is sourced from PubChem (CID 115859344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).