1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol

C34H74N4O2 — CID 46200429

IUPAC1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CNCCNCCNCCNCC(O)CCCCCCCCCCCC
InChIInChI=1S/C34H74N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-33(39)31-37-29-27-35-25-26-36-28-30-38-32-34(40)24-22-20-18-16-14-12-10-8-6-4-2/h33-40H,3-32H2,1-2H3
InChIKeyDKYPOVIVHUNSFX-UHFFFAOYSA-N
MW570.99 g/mol
LogP6.69
Rot. Bonds35

About 1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol

1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol (PubChem CID 46200429) has the molecular formula C34H74N4O2 and a molecular weight of 570.99 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
PubChem CID46200429
Molecular FormulaC34H74N4O2
Molecular Weight570.99 g/mol
Exact Mass570.58
IUPAC Name1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CNCCNCCNCCNCC(O)CCCCCCCCCCCC
InChIInChI=1S/C34H74N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-33(39)31-37-29-27-35-25-26-36-28-30-38-32-34(40)24-22-20-18-16-14-12-10-8-6-4-2/h33-40H,3-32H2,1-2H3
InChIKeyDKYPOVIVHUNSFX-UHFFFAOYSA-N
XLogP6.69
TPSA88.58 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds35
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500570.99
LogP ≤ 56.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
CID 165109724
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
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 1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol?
The IUPAC name of 1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol (CID 46200429) is 1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol?
The canonical SMILES for 1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol is CCCCCCCCCCCCC(O)CNCCNCCNCCNCC(O)CCCCCCCCCCCC.
What is the InChIKey of 1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol?
The InChIKey is DKYPOVIVHUNSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H74N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-33(39)31-37-29-27-35-25-26-36-28-30-38-32-34(40)24-22-20-18-16-14-12-10-8-6-4-2/h33-40H,3-32H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol?
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol has a molecular weight of 570.99 g/mol, XLogP of 6.69, 35 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol is sourced from PubChem (CID 46200429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).