4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol

C10H14I2N2O — CID 171215819

IUPAC4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol
SMILESNCCC[C@@H](N)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C10H14I2N2O/c11-7-4-6(5-8(12)10(7)15)9(14)2-1-3-13/h4-5,9,15H,1-3,13-14H2/t9-/m1/s1
InChIKeyHFEANUZASBQWFC-SECBINFHSA-N
MW432.04 g/mol
LogP2.34
Rot. Bonds4

About 4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol

4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol (PubChem CID 171215819) has the molecular formula C10H14I2N2O and a molecular weight of 432.04 g/mol. Its IUPAC name is 4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol.

Molecular Properties

Compound Name4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol
PubChem CID171215819
Molecular FormulaC10H14I2N2O
Molecular Weight432.04 g/mol
Exact Mass431.92
IUPAC Name4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol
SMILESNCCC[C@@H](N)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C10H14I2N2O/c11-7-4-6(5-8(12)10(7)15)9(14)2-1-3-13/h4-5,9,15H,1-3,13-14H2/t9-/m1/s1
InChIKeyHFEANUZASBQWFC-SECBINFHSA-N
XLogP2.34
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.04
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1,5-diaminopentyl]-2,6-diiodophenol
CID 171235454
4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride
CID 171215822
4-[(1S)-1-aminobutyl]-2,6-diiodophenol
CID 130705727
4-[(1S)-1-amino-4,4,4-trifluorobutyl]-2,6-diiodophenol;hydrochloride
CID 171235469
4-[(1R)-1,4-diaminobutyl]-2,6-dimethoxyphenol
CID 171199771
4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride
CID 171215816
2,6-dibromo-4-[(1S)-1,4-diaminobutyl]phenol;hydrochloride
CID 171219509
2-[(1S)-1,4-diaminobutyl]-4,6-diiodophenol;hydrochloride
CID 171235496
5-[(1S)-1,5-diaminopentyl]benzene-1,3-diol
CID 171219413
2,6-dibromo-4-[(1S)-1,5-diaminopentyl]phenol
CID 171219510
4-[(1S)-1-aminobut-3-enyl]-2,6-diiodophenol
CID 130731072
2-bromo-4-[(1S)-1,4-diaminobutyl]-6-methoxyphenol
CID 171226118

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol?
The IUPAC name of 4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol (CID 171215819) is 4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol.
What is the SMILES notation for 4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol?
The canonical SMILES for 4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol is NCCC[C@@H](N)c1cc(I)c(O)c(I)c1.
What is the InChIKey of 4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol?
The InChIKey is HFEANUZASBQWFC-SECBINFHSA-N. The full InChI is InChI=1S/C10H14I2N2O/c11-7-4-6(5-8(12)10(7)15)9(14)2-1-3-13/h4-5,9,15H,1-3,13-14H2/t9-/m1/s1.
What are the key properties of 4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol?
4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol has a molecular weight of 432.04 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol is sourced from PubChem (CID 171215819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).