N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine

C9H10INS — CID 104995710

IUPACN-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine
SMILESC#CC(NCC)c1csc(I)c1
InChIInChI=1S/C9H10INS/c1-3-8(11-4-2)7-5-9(10)12-6-7/h1,5-6,8,11H,4H2,2H3
InChIKeySHONTOYVGQKYKB-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.64
Rot. Bonds3

About N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine

N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine (PubChem CID 104995710) has the molecular formula C9H10INS and a molecular weight of 291.16 g/mol. Its IUPAC name is N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine
PubChem CID104995710
Molecular FormulaC9H10INS
Molecular Weight291.16 g/mol
Exact Mass290.96
IUPAC NameN-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine
SMILESC#CC(NCC)c1csc(I)c1
InChIInChI=1S/C9H10INS/c1-3-8(11-4-2)7-5-9(10)12-6-7/h1,5-6,8,11H,4H2,2H3
InChIKeySHONTOYVGQKYKB-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.64
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

N-ethyl-1-(3-iodophenyl)prop-2-yn-1-amine
CID 104995826
N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine
CID 105005415
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
CID 79693571
N-[(5-iodothiophen-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 79693662
1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
CID 115859344
N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine
CID 105028853
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693011
N-[(5-iodothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methyl]ethanamine
CID 79691325
N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115855580
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 115803429
N-[1-benzothiophen-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693289
N-[(3,4-diethylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115482360

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine?
The IUPAC name of N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine (CID 104995710) is N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine is C#CC(NCC)c1csc(I)c1.
What is the InChIKey of N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine?
The InChIKey is SHONTOYVGQKYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INS/c1-3-8(11-4-2)7-5-9(10)12-6-7/h1,5-6,8,11H,4H2,2H3.
What are the key properties of N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine?
N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine has a molecular weight of 291.16 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine is sourced from PubChem (CID 104995710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).