1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide

C28H62Br2N2O2 — CID 21332373

IUPAC1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
SMILESBr.Br.CCCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCCCC
InChIInChI=1S/C28H60N2O2.2BrH/c1-3-5-7-9-11-13-17-21-27(31)25-29-23-19-15-16-20-24-30-26-28(32)22-18-14-12-10-8-6-4-2;;/h27-32H,3-26H2,1-2H3;2*1H
InChIKeyGJNPOYDRMYATQT-UHFFFAOYSA-N
MW618.62 g/mol
LogP7.89
Rot. Bonds27

About 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide

1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide (PubChem CID 21332373) has the molecular formula C28H62Br2N2O2 and a molecular weight of 618.62 g/mol. Its IUPAC name is 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide.

Molecular Properties

Compound Name1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
PubChem CID21332373
Molecular FormulaC28H62Br2N2O2
Molecular Weight618.62 g/mol
Exact Mass616.32
IUPAC Name1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
SMILESBr.Br.CCCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCCCC
InChIInChI=1S/C28H60N2O2.2BrH/c1-3-5-7-9-11-13-17-21-27(31)25-29-23-19-15-16-20-24-30-26-28(32)22-18-14-12-10-8-6-4-2;;/h27-32H,3-26H2,1-2H3;2*1H
InChIKeyGJNPOYDRMYATQT-UHFFFAOYSA-N
XLogP7.89
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.62
LogP ≤ 57.89
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

1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
1-(propylamino)hexadecan-2-ol
CID 88695975
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium
CID 88928951
1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol;bis(2-hydroxypropanoic acid)
CID 159703654
butanedioic acid;1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol
CID 21332461

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide?
The IUPAC name of 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide (CID 21332373) is 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide.
What is the SMILES notation for 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide?
The canonical SMILES for 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide is Br.Br.CCCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCCCC.
What is the InChIKey of 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide?
The InChIKey is GJNPOYDRMYATQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N2O2.2BrH/c1-3-5-7-9-11-13-17-21-27(31)25-29-23-19-15-16-20-24-30-26-28(32)22-18-14-12-10-8-6-4-2;;/h27-32H,3-26H2,1-2H3;2*1H.
What are the key properties of 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide?
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide has a molecular weight of 618.62 g/mol, XLogP of 7.89, 27 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide is sourced from PubChem (CID 21332373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).