1-(4-iodophenyl)-N,4-dimethylpentan-1-amine

C13H20IN — CID 115834286

IUPAC1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-10(2)4-9-13(15-3)11-5-7-12(14)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyDAXPCGNVGONKPO-UHFFFAOYSA-N
MW317.21 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-iodophenyl)-N,4-dimethylpentan-1-amine

1-(4-iodophenyl)-N,4-dimethylpentan-1-amine (PubChem CID 115834286) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
PubChem CID115834286
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC Name1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-10(2)4-9-13(15-3)11-5-7-12(14)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyDAXPCGNVGONKPO-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-(4-iodophenyl)-4-methylpentan-1-amine
CID 115834220
1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799
1-(4-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859296
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732
1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
1-[4-(2-methoxyethyl)phenyl]-N,4-dimethylpentan-1-amine
CID 43482360
(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 171202898
1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine
CID 43484494
1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834684
1-(3-iodophenyl)-N,5-dimethylhexan-1-amine
CID 105028957
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4-iodophenyl)-N,4-dimethylpentan-1-amine (CID 115834286) is 1-(4-iodophenyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-iodophenyl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N,4-dimethylpentan-1-amine?
The InChIKey is DAXPCGNVGONKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-10(2)4-9-13(15-3)11-5-7-12(14)8-6-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 1-(4-iodophenyl)-N,4-dimethylpentan-1-amine?
1-(4-iodophenyl)-N,4-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-(4-iodophenyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 115834286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).