N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine

C10H14INS — CID 105005415

IUPACN-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1csc(I)c1
InChIInChI=1S/C10H14INS/c1-4-12-10(7(2)3)8-5-9(11)13-6-8/h5-6,10,12H,2,4H2,1,3H3
InChIKeySDKMLWHAEJBEIS-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.58
Rot. Bonds4

About N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine

N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine (PubChem CID 105005415) has the molecular formula C10H14INS and a molecular weight of 307.20 g/mol. Its IUPAC name is N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine
PubChem CID105005415
Molecular FormulaC10H14INS
Molecular Weight307.20 g/mol
Exact Mass306.99
IUPAC NameN-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)C(NCC)c1csc(I)c1
InChIInChI=1S/C10H14INS/c1-4-12-10(7(2)3)8-5-9(11)13-6-8/h5-6,10,12H,2,4H2,1,3H3
InChIKeySDKMLWHAEJBEIS-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.58
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'}

Analyze N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-iodothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005326
1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163785
N-ethyl-1-(5-iodothiophen-3-yl)prop-2-yn-1-amine
CID 104995710
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
CID 79693571
N-[(5-iodothiophen-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 79693662
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-[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-[(3,4-diethylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115482360
N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988096
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79190712

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine (CID 105005415) is N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine is C=C(C)C(NCC)c1csc(I)c1.
What is the InChIKey of N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine?
The InChIKey is SDKMLWHAEJBEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INS/c1-4-12-10(7(2)3)8-5-9(11)13-6-8/h5-6,10,12H,2,4H2,1,3H3.
What are the key properties of N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine?
N-ethyl-1-(5-iodothiophen-3-yl)-2-methylprop-2-en-1-amine has a molecular weight of 307.20 g/mol, XLogP of 3.58, 4 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)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 105005415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).