1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol

C26H56N2O2 — CID 21332381

IUPAC1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol
SMILESCCCCCCCCCC(O)CNCCC(C)NCC(O)CCCCCCCCC
InChIInChI=1S/C26H56N2O2/c1-4-6-8-10-12-14-16-18-25(29)22-27-21-20-24(3)28-23-26(30)19-17-15-13-11-9-7-5-2/h24-30H,4-23H2,1-3H3
InChIKeyGGUZEAOSUACSJI-UHFFFAOYSA-N
MW428.75 g/mol
LogP5.95
Rot. Bonds24

About 1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol

1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol (PubChem CID 21332381) has the molecular formula C26H56N2O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is 1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol.

Molecular Properties

Compound Name1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol
PubChem CID21332381
Molecular FormulaC26H56N2O2
Molecular Weight428.75 g/mol
Exact Mass428.43
IUPAC Name1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol
SMILESCCCCCCCCCC(O)CNCCC(C)NCC(O)CCCCCCCCC
InChIInChI=1S/C26H56N2O2/c1-4-6-8-10-12-14-16-18-25(29)22-27-21-20-24(3)28-23-26(30)19-17-15-13-11-9-7-5-2/h24-30H,4-23H2,1-3H3
InChIKeyGGUZEAOSUACSJI-UHFFFAOYSA-N
XLogP5.95
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds24
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'}

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Related Compounds

(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
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-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
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-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
CID 165109724
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
1-(ethylamino)octan-2-ol
CID 62774096
tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium
CID 88928951

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol?
The IUPAC name of 1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol (CID 21332381) is 1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol.
What is the SMILES notation for 1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol?
The canonical SMILES for 1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol is CCCCCCCCCC(O)CNCCC(C)NCC(O)CCCCCCCCC.
What is the InChIKey of 1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol?
The InChIKey is GGUZEAOSUACSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2O2/c1-4-6-8-10-12-14-16-18-25(29)22-27-21-20-24(3)28-23-26(30)19-17-15-13-11-9-7-5-2/h24-30H,4-23H2,1-3H3.
What are the key properties of 1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol?
1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol has a molecular weight of 428.75 g/mol, XLogP of 5.95, 24 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol is sourced from PubChem (CID 21332381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).