2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol

C11H18N2O2 — CID 171201118

IUPAC2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol
SMILESNCCCC[C@@H](N)c1cc(O)ccc1O
InChIInChI=1S/C11H18N2O2/c12-6-2-1-3-10(13)9-7-8(14)4-5-11(9)15/h4-5,7,10,14-15H,1-3,6,12-13H2/t10-/m1/s1
InChIKeyBDIGKPCBMVXTQU-SNVBAGLBSA-N
MW210.28 g/mol
LogP1.23
Rot. Bonds5

About 2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol

2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol (PubChem CID 171201118) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol
PubChem CID171201118
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol
SMILESNCCCC[C@@H](N)c1cc(O)ccc1O
InChIInChI=1S/C11H18N2O2/c12-6-2-1-3-10(13)9-7-8(14)4-5-11(9)15/h4-5,7,10,14-15H,1-3,6,12-13H2/t10-/m1/s1
InChIKeyBDIGKPCBMVXTQU-SNVBAGLBSA-N
XLogP1.23
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-4-hydroxybutyl]benzene-1,4-diol
CID 55265459
2-[(1R)-1,5-diaminopentyl]-4-methylphenol;hydrochloride
CID 171202303
2-(1,6-diaminohexyl)phenol
CID 19366084
2-[(1S)-1,5-diaminopentyl]-4-methoxyphenol
CID 171222237
2-[(1S)-1,5-diaminopentyl]-4-nitrophenol;hydrochloride
CID 171217251
3-amino-3-(2,5-dihydroxyphenyl)propanoic acid
CID 53417335
2-[(1R)-1,3-diaminopropyl]-4-methylphenol
CID 130972220
2-[(1R)-1-amino-3,3,3-trifluoropropyl]benzene-1,4-diol
CID 131515495
3-[(1S)-1,5-diaminopentyl]phenol
CID 171218046
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924
2-[(1S)-1-amino-4-hydroxybutyl]-4-chlorophenol
CID 171217158
4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol
CID 171200731

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol?
The IUPAC name of 2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol (CID 171201118) is 2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol?
The canonical SMILES for 2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol is NCCCC[C@@H](N)c1cc(O)ccc1O.
What is the InChIKey of 2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol?
The InChIKey is BDIGKPCBMVXTQU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-6-2-1-3-10(13)9-7-8(14)4-5-11(9)15/h4-5,7,10,14-15H,1-3,6,12-13H2/t10-/m1/s1.
What are the key properties of 2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol?
2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol has a molecular weight of 210.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1,5-diaminopentyl]benzene-1,4-diol is sourced from PubChem (CID 171201118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).