4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride

C11H17ClI2N2O — CID 171215822

IUPAC4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C11H16I2N2O.ClH/c12-8-5-7(6-9(13)11(8)16)10(15)3-1-2-4-14;/h5-6,10,16H,1-4,14-15H2;1H/t10-;/m1./s1
InChIKeyBFXRBYLCESKKEB-HNCPQSOCSA-N
MW482.53 g/mol
LogP3.15
Rot. Bonds5

About 4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride

4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride (PubChem CID 171215822) has the molecular formula C11H17ClI2N2O and a molecular weight of 482.53 g/mol. Its IUPAC name is 4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride
PubChem CID171215822
Molecular FormulaC11H17ClI2N2O
Molecular Weight482.53 g/mol
Exact Mass481.91
IUPAC Name4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C11H16I2N2O.ClH/c12-8-5-7(6-9(13)11(8)16)10(15)3-1-2-4-14;/h5-6,10,16H,1-4,14-15H2;1H/t10-;/m1./s1
InChIKeyBFXRBYLCESKKEB-HNCPQSOCSA-N
XLogP3.15
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-1,5-diaminopentyl]-2,6-diiodophenol
CID 171235454
4-[(1R)-1,4-diaminobutyl]-2,6-diiodophenol
CID 171215819
4-[(1S)-1-aminobutyl]-2,6-diiodophenol
CID 130705727
5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride
CID 171199887
2,6-dibromo-4-[(1S)-1,5-diaminopentyl]phenol;hydrochloride
CID 171219511
4-[(1S)-1-amino-4,4,4-trifluorobutyl]-2,6-diiodophenol;hydrochloride
CID 171235469
5-[(1S)-1,5-diaminopentyl]benzene-1,3-diol
CID 171219413
4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride
CID 171215816
2,6-dibromo-4-[(1S)-1,5-diaminopentyl]phenol
CID 171219510
(1R)-1-(3,5-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202162
2,6-dibromo-4-[(1S)-1,4-diaminobutyl]phenol;hydrochloride
CID 171219509
2-[(1S)-1,4-diaminobutyl]-4,6-diiodophenol;hydrochloride
CID 171235496

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride?
The IUPAC name of 4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride (CID 171215822) is 4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride is Cl.NCCCC[C@@H](N)c1cc(I)c(O)c(I)c1.
What is the InChIKey of 4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride?
The InChIKey is BFXRBYLCESKKEB-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H16I2N2O.ClH/c12-8-5-7(6-9(13)11(8)16)10(15)3-1-2-4-14;/h5-6,10,16H,1-4,14-15H2;1H/t10-;/m1./s1.
What are the key properties of 4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride?
4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride has a molecular weight of 482.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride is sourced from PubChem (CID 171215822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).