1-(4-iodophenyl)-N-methylpent-4-yn-1-amine

C12H14IN — CID 115859296

IUPAC1-(4-iodophenyl)-N-methylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1ccc(I)cc1
InChIInChI=1S/C12H14IN/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h1,6-9,12,14H,4-5H2,2H3
InChIKeyJEKZAZYNQMNUIL-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.97
Rot. Bonds4

About 1-(4-iodophenyl)-N-methylpent-4-yn-1-amine

1-(4-iodophenyl)-N-methylpent-4-yn-1-amine (PubChem CID 115859296) has the molecular formula C12H14IN and a molecular weight of 299.16 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-methylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-methylpent-4-yn-1-amine
PubChem CID115859296
Molecular FormulaC12H14IN
Molecular Weight299.16 g/mol
Exact Mass299.02
IUPAC Name1-(4-iodophenyl)-N-methylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1ccc(I)cc1
InChIInChI=1S/C12H14IN/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h1,6-9,12,14H,4-5H2,2H3
InChIKeyJEKZAZYNQMNUIL-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-iodophenyl)-N-methylpent-4-yn-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-(3-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859533
1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
CID 115834286
1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799
1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
1-(3-iodophenyl)-N-methylhex-5-yn-1-amine
CID 105034072
N-methyl-1-thiophen-3-ylpent-4-yn-1-amine
CID 63656286
1-(3-chloro-4-iodophenyl)-N-methylhex-5-yn-1-amine
CID 103216178
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylpent-4-yn-1-amine
CID 115859577
N-methyl-1-(2-methylphenyl)pent-4-yn-1-amine
CID 63657700
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
N-methyl-1-[3-(trifluoromethoxy)phenyl]pent-4-yn-1-amine
CID 112749243
1-(4-chloro-3-fluorophenyl)-N-methylhex-5-yn-1-amine
CID 107995061

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-methylpent-4-yn-1-amine?
The IUPAC name of 1-(4-iodophenyl)-N-methylpent-4-yn-1-amine (CID 115859296) is 1-(4-iodophenyl)-N-methylpent-4-yn-1-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-methylpent-4-yn-1-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-methylpent-4-yn-1-amine is C#CCCC(NC)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-methylpent-4-yn-1-amine?
The InChIKey is JEKZAZYNQMNUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h1,6-9,12,14H,4-5H2,2H3.
What are the key properties of 1-(4-iodophenyl)-N-methylpent-4-yn-1-amine?
1-(4-iodophenyl)-N-methylpent-4-yn-1-amine has a molecular weight of 299.16 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-methylpent-4-yn-1-amine is sourced from PubChem (CID 115859296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).