1-(3-iodophenyl)-N,3-dimethylpentan-1-amine

C13H20IN — CID 115846380

IUPAC1-(3-iodophenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1cccc(I)c1
InChIInChI=1S/C13H20IN/c1-4-10(2)8-13(15-3)11-6-5-7-12(14)9-11/h5-7,9-10,13,15H,4,8H2,1-3H3
InChIKeyHEMAEPYYSFIELD-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.99
Rot. Bonds5

About 1-(3-iodophenyl)-N,3-dimethylpentan-1-amine

1-(3-iodophenyl)-N,3-dimethylpentan-1-amine (PubChem CID 115846380) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-iodophenyl)-N,3-dimethylpentan-1-amine
PubChem CID115846380
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC Name1-(3-iodophenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1cccc(I)c1
InChIInChI=1S/C13H20IN/c1-4-10(2)8-13(15-3)11-6-5-7-12(14)9-11/h5-7,9-10,13,15H,4,8H2,1-3H3
InChIKeyHEMAEPYYSFIELD-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
CID 115846379
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
1-(3-iodophenyl)-N,5-dimethylhexan-1-amine
CID 105028957
N,3-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 62716073
1-(3-iodophenyl)-N,2-dimethylbutan-1-amine
CID 105017535
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206
1-(3,4-dichlorophenyl)-N,3-dimethylpentan-1-amine
CID 81492431
1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
CID 105008577
1-(3-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859533
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-iodophenyl)-N-methylethanamine
CID 104989834
1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 61063844
1-(3-iodophenyl)-N-methylhex-5-yn-1-amine
CID 105034072

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(3-iodophenyl)-N,3-dimethylpentan-1-amine (CID 115846380) is 1-(3-iodophenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-iodophenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-iodophenyl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is HEMAEPYYSFIELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-4-10(2)8-13(15-3)11-6-5-7-12(14)9-11/h5-7,9-10,13,15H,4,8H2,1-3H3.
What are the key properties of 1-(3-iodophenyl)-N,3-dimethylpentan-1-amine?
1-(3-iodophenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 317.21 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 115846380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).