1-(3-iodophenyl)-N,5-dimethylhexan-1-amine

C14H22IN — CID 105028957

IUPAC1-(3-iodophenyl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1cccc(I)c1
InChIInChI=1S/C14H22IN/c1-11(2)6-4-9-14(16-3)12-7-5-8-13(15)10-12/h5,7-8,10-11,14,16H,4,6,9H2,1-3H3
InChIKeyUWSVLORFHMESAO-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.38
Rot. Bonds6

About 1-(3-iodophenyl)-N,5-dimethylhexan-1-amine

1-(3-iodophenyl)-N,5-dimethylhexan-1-amine (PubChem CID 105028957) has the molecular formula C14H22IN and a molecular weight of 331.24 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(3-iodophenyl)-N,5-dimethylhexan-1-amine
PubChem CID105028957
Molecular FormulaC14H22IN
Molecular Weight331.24 g/mol
Exact Mass331.08
IUPAC Name1-(3-iodophenyl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1cccc(I)c1
InChIInChI=1S/C14H22IN/c1-11(2)6-4-9-14(16-3)12-7-5-8-13(15)10-12/h5,7-8,10-11,14,16H,4,6,9H2,1-3H3
InChIKeyUWSVLORFHMESAO-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.38
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

1-(3-iodophenyl)-N-methylhex-5-yn-1-amine
CID 105034072
1-(3-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859533
1-(3-iodophenyl)-N,3-dimethylpentan-1-amine
CID 115846380
N-ethyl-1-(3-iodophenyl)hexan-1-amine
CID 115837554
1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 61063844
1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
CID 105008577
1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
CID 115834286
(1S)-1-(3-iodophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171230181
1-(3-iodophenyl)-N,2-dimethylbutan-1-amine
CID 105017535
1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526846
N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
CID 105050603
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 1-(3-iodophenyl)-N,5-dimethylhexan-1-amine (CID 105028957) is 1-(3-iodophenyl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(3-iodophenyl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(3-iodophenyl)-N,5-dimethylhexan-1-amine is CNC(CCCC(C)C)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-N,5-dimethylhexan-1-amine?
The InChIKey is UWSVLORFHMESAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN/c1-11(2)6-4-9-14(16-3)12-7-5-8-13(15)10-12/h5,7-8,10-11,14,16H,4,6,9H2,1-3H3.
What are the key properties of 1-(3-iodophenyl)-N,5-dimethylhexan-1-amine?
1-(3-iodophenyl)-N,5-dimethylhexan-1-amine has a molecular weight of 331.24 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 105028957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).