4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol

C14H24N2O3 — CID 67587574

IUPAC4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol
SMILESNCCCCCCNCC(O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H24N2O3/c15-7-3-1-2-4-8-16-10-14(19)11-5-6-12(17)13(18)9-11/h5-6,9,14,16-19H,1-4,7-8,10,15H2
InChIKeyJGQYXLMWKSICQO-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.24
Rot. Bonds9

About 4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol

4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol (PubChem CID 67587574) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol
PubChem CID67587574
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol
SMILESNCCCCCCNCC(O)c1ccc(O)c(O)c1
InChIInChI=1S/C14H24N2O3/c15-7-3-1-2-4-8-16-10-14(19)11-5-6-12(17)13(18)9-11/h5-6,9,14,16-19H,1-4,7-8,10,15H2
InChIKeyJGQYXLMWKSICQO-UHFFFAOYSA-N
XLogP1.24
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-2-[6-[[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol
CID 24993924
4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]butanenitrile
CID 19069896
N-[5-[2-[6-[[2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
CID 21435549
4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]butanenitrile;oxalic acid
CID 19069897
N-[5-[2-[6-[[2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide;dihydrochloride
CID 21438047
4-[(1S)-1-hydroxy-2-[3-(4-methoxyphenyl)propylamino]ethyl]benzene-1,2-diol
CID 54547683
4-[1-hydroxy-2-(6-methoxyhexylamino)ethyl]-2-(hydroxymethyl)phenol
CID 20739121
N-[2-hydroxy-5-[1-hydroxy-2-[4-[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]butylamino]ethyl]phenyl]methanesulfonamide;dihydrochloride
CID 21438072
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
5-[2-(2-aminoethylamino)-1-hydroxyethyl]benzene-1,3-diol
CID 110176309

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol?
The IUPAC name of 4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol (CID 67587574) is 4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol is NCCCCCCNCC(O)c1ccc(O)c(O)c1.
What is the InChIKey of 4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol?
The InChIKey is JGQYXLMWKSICQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-7-3-1-2-4-8-16-10-14(19)11-5-6-12(17)13(18)9-11/h5-6,9,14,16-19H,1-4,7-8,10,15H2.
What are the key properties of 4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol?
4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol has a molecular weight of 268.36 g/mol, XLogP of 1.24, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-aminohexylamino)-1-hydroxyethyl]benzene-1,2-diol is sourced from PubChem (CID 67587574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).