1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol

C25H58N6O2 — CID 165109724

IUPAC1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
SMILESCCCCCCCCCCC(O)CNCCNCCNCCNCCNCCNCC(C)O
InChIInChI=1S/C25H58N6O2/c1-3-4-5-6-7-8-9-10-11-25(33)23-31-21-19-29-17-15-27-13-12-26-14-16-28-18-20-30-22-24(2)32/h24-33H,3-23H2,1-2H3
InChIKeyXLNUARFCTPWTQN-UHFFFAOYSA-N
MW474.78 g/mol
LogP0.80
Rot. Bonds28

About 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol

1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol (PubChem CID 165109724) has the molecular formula C25H58N6O2 and a molecular weight of 474.78 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
PubChem CID165109724
Molecular FormulaC25H58N6O2
Molecular Weight474.78 g/mol
Exact Mass474.46
IUPAC Name1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
SMILESCCCCCCCCCCC(O)CNCCNCCNCCNCCNCCNCC(C)O
InChIInChI=1S/C25H58N6O2/c1-3-4-5-6-7-8-9-10-11-25(33)23-31-21-19-29-17-15-27-13-12-26-14-16-28-18-20-30-22-24(2)32/h24-33H,3-23H2,1-2H3
InChIKeyXLNUARFCTPWTQN-UHFFFAOYSA-N
XLogP0.80
TPSA112.64 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 50.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
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
tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium
CID 88928951
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol
CID 21332381

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol?
The IUPAC name of 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol (CID 165109724) is 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol?
The canonical SMILES for 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol is CCCCCCCCCCC(O)CNCCNCCNCCNCCNCCNCC(C)O.
What is the InChIKey of 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol?
The InChIKey is XLNUARFCTPWTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H58N6O2/c1-3-4-5-6-7-8-9-10-11-25(33)23-31-21-19-29-17-15-27-13-12-26-14-16-28-18-20-30-22-24(2)32/h24-33H,3-23H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol?
1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol has a molecular weight of 474.78 g/mol, XLogP of 0.80, 28 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol is sourced from PubChem (CID 165109724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).