5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride

C11H19ClN2O2 — CID 171199887

IUPAC5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1cc(O)cc(O)c1
InChIInChI=1S/C11H18N2O2.ClH/c12-4-2-1-3-11(13)8-5-9(14)7-10(15)6-8;/h5-7,11,14-15H,1-4,12-13H2;1H/t11-;/m1./s1
InChIKeyDAZXKOAZUOUAQB-RFVHGSKJSA-N
MW246.74 g/mol
LogP1.65
Rot. Bonds5

About 5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride

5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride (PubChem CID 171199887) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride.

Molecular Properties

Compound Name5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride
PubChem CID171199887
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1cc(O)cc(O)c1
InChIInChI=1S/C11H18N2O2.ClH/c12-4-2-1-3-11(13)8-5-9(14)7-10(15)6-8;/h5-7,11,14-15H,1-4,12-13H2;1H/t11-;/m1./s1
InChIKeyDAZXKOAZUOUAQB-RFVHGSKJSA-N
XLogP1.65
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(1S)-1,5-diaminopentyl]benzene-1,3-diol
CID 171219413
2,6-dibromo-4-[(1S)-1,5-diaminopentyl]phenol;hydrochloride
CID 171219511
3-[(1S)-1,5-diaminopentyl]phenol
CID 171218046
4-[(1R)-1,5-diaminopentyl]-2,6-diiodophenol;hydrochloride
CID 171215822
5-[(1S)-1-aminobutyl]benzene-1,3-diol;hydrochloride
CID 171219418
4-[(1S)-1,5-diaminopentyl]-2,6-diiodophenol
CID 171235454
2,6-dibromo-4-[(1S)-1,5-diaminopentyl]phenol
CID 171219510
(1R)-1-(3,5-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202162
5-[(1R)-1-amino-4,4,4-trifluorobutyl]benzene-1,3-diol;hydrochloride
CID 171199900
(1S)-1-(3,5-difluorophenyl)pentane-1,5-diamine
CID 171224073
2,6-dibromo-4-[(1S)-1,4-diaminobutyl]phenol;hydrochloride
CID 171219509
4-[(1R)-1,5-diaminopentyl]-3,5-dimethylphenol
CID 171198700

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride?
The IUPAC name of 5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride (CID 171199887) is 5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride.
What is the SMILES notation for 5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride?
The canonical SMILES for 5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride is Cl.NCCCC[C@@H](N)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride?
The InChIKey is DAZXKOAZUOUAQB-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H18N2O2.ClH/c12-4-2-1-3-11(13)8-5-9(14)7-10(15)6-8;/h5-7,11,14-15H,1-4,12-13H2;1H/t11-;/m1./s1.
What are the key properties of 5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride?
5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 1.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride is sourced from PubChem (CID 171199887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).