1-(4-iodophenyl)-N-methylpentan-1-amine

C12H18IN — CID 115832799

IUPAC1-(4-iodophenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(I)cc1
InChIInChI=1S/C12H18IN/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h6-9,12,14H,3-5H2,1-2H3
InChIKeySWAHGPCJTAWAPQ-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.74
Rot. Bonds5

About 1-(4-iodophenyl)-N-methylpentan-1-amine

1-(4-iodophenyl)-N-methylpentan-1-amine (PubChem CID 115832799) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-methylpentan-1-amine
PubChem CID115832799
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name1-(4-iodophenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1ccc(I)cc1
InChIInChI=1S/C12H18IN/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h6-9,12,14H,3-5H2,1-2H3
InChIKeySWAHGPCJTAWAPQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-iodophenyl)-N-methylpentan-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-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
CID 115834286
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
1-(4-iodophenyl)octylhydrazine
CID 105293657
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859296
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
N,3-diethyl-1-(4-iodophenyl)heptan-1-amine
CID 115805946

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-methylpentan-1-amine?
The IUPAC name of 1-(4-iodophenyl)-N-methylpentan-1-amine (CID 115832799) is 1-(4-iodophenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-methylpentan-1-amine is CCCCC(NC)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-methylpentan-1-amine?
The InChIKey is SWAHGPCJTAWAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h6-9,12,14H,3-5H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-methylpentan-1-amine?
1-(4-iodophenyl)-N-methylpentan-1-amine has a molecular weight of 303.19 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 115832799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).