(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol

C26H56N2O2 — CID 25129899

IUPAC(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
SMILESCCCCCCCCCC[C@@H](O)CNCCNC[C@H](O)CCCCCCCCCC
InChIInChI=1S/C26H56N2O2/c1-3-5-7-9-11-13-15-17-19-25(29)23-27-21-22-28-24-26(30)20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3/t25-,26-/m1/s1
InChIKeyBCEXXXYYTVZVNX-CLJLJLNGSA-N
MW428.75 g/mol
LogP5.95
Rot. Bonds25

About (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol

(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol (PubChem CID 25129899) has the molecular formula C26H56N2O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
PubChem CID25129899
Molecular FormulaC26H56N2O2
Molecular Weight428.75 g/mol
Exact Mass428.43
IUPAC Name(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
SMILESCCCCCCCCCC[C@@H](O)CNCCNC[C@H](O)CCCCCCCCCC
InChIInChI=1S/C26H56N2O2/c1-3-5-7-9-11-13-15-17-19-25(29)23-27-21-22-28-24-26(30)20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3/t25-,26-/m1/s1
InChIKeyBCEXXXYYTVZVNX-CLJLJLNGSA-N
XLogP5.95
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 55.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol with MolForge

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Related Compounds

1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
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
1-(propylamino)hexadecan-2-ol
CID 88695975
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
CID 165109724
1-(ethylamino)octan-2-ol
CID 62774096
tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium
CID 88928951
1-[2-[2-(2-hydroxydecylamino)ethyl-[2-(2-hydroxydodecylamino)ethyl]amino]ethylamino]dodecan-2-ol
CID 162485170

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol?
The IUPAC name of (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol (CID 25129899) is (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol.
What is the SMILES notation for (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol?
The canonical SMILES for (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol is CCCCCCCCCC[C@@H](O)CNCCNC[C@H](O)CCCCCCCCCC.
What is the InChIKey of (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol?
The InChIKey is BCEXXXYYTVZVNX-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H56N2O2/c1-3-5-7-9-11-13-15-17-19-25(29)23-27-21-22-28-24-26(30)20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3/t25-,26-/m1/s1.
What are the key properties of (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol?
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol has a molecular weight of 428.75 g/mol, XLogP of 5.95, 25 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol is sourced from PubChem (CID 25129899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).