5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine

C12H17I2N — CID 107319983

IUPAC5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine
SMILESICCCCCNCc1ccc(I)cc1
InChIInChI=1S/C12H17I2N/c13-8-2-1-3-9-15-10-11-4-6-12(14)7-5-11/h4-7,15H,1-3,8-10H2
InChIKeyRYMRYOLSOHJLAV-UHFFFAOYSA-N
MW429.08 g/mol
LogP3.99
Rot. Bonds7

About 5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine

5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine (PubChem CID 107319983) has the molecular formula C12H17I2N and a molecular weight of 429.08 g/mol. Its IUPAC name is 5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine
PubChem CID107319983
Molecular FormulaC12H17I2N
Molecular Weight429.08 g/mol
Exact Mass428.95
IUPAC Name5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine
SMILESICCCCCNCc1ccc(I)cc1
InChIInChI=1S/C12H17I2N/c13-8-2-1-3-9-15-10-11-4-6-12(14)7-5-11/h4-7,15H,1-3,8-10H2
InChIKeyRYMRYOLSOHJLAV-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.08
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-N-[(4-methylphenyl)methyl]hexan-1-amine
CID 107844979
N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
CID 106844450
5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 107319994
N'-[(4-iodophenyl)methyl]-N-methylpropane-1,3-diamine
CID 103220678
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
5-iodo-N-(thiophen-3-ylmethyl)pentan-1-amine
CID 107320001
4-[[6-[(4-hydroxyphenyl)methylamino]hexylamino]methyl]phenol
CID 22756076
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
N-methyl-N'-[4-[[4-[[4-[4-(methylamino)butylamino]butylamino]methyl]phenyl]methylamino]butyl]butane-1,4-diamine
CID 71765356
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine?
The IUPAC name of 5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine (CID 107319983) is 5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine.
What is the SMILES notation for 5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine?
The canonical SMILES for 5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine is ICCCCCNCc1ccc(I)cc1.
What is the InChIKey of 5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine?
The InChIKey is RYMRYOLSOHJLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17I2N/c13-8-2-1-3-9-15-10-11-4-6-12(14)7-5-11/h4-7,15H,1-3,8-10H2.
What are the key properties of 5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine?
5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine has a molecular weight of 429.08 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine is sourced from PubChem (CID 107319983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).