1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol

C34H72N2O2 — CID 21332395

IUPAC1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCCCCCCC
InChIInChI=1S/C34H72N2O2/c1-3-5-7-9-11-13-15-17-19-23-27-33(37)31-35-29-25-21-22-26-30-36-32-34(38)28-24-20-18-16-14-12-10-8-6-4-2/h33-38H,3-32H2,1-2H3
InChIKeyMPIHMXCAWAXHCD-UHFFFAOYSA-N
MW540.96 g/mol
LogP9.07
Rot. Bonds33

About 1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol

1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol (PubChem CID 21332395) has the molecular formula C34H72N2O2 and a molecular weight of 540.96 g/mol. Its IUPAC name is 1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
PubChem CID21332395
Molecular FormulaC34H72N2O2
Molecular Weight540.96 g/mol
Exact Mass540.56
IUPAC Name1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCCCCCCC
InChIInChI=1S/C34H72N2O2/c1-3-5-7-9-11-13-15-17-19-23-27-33(37)31-35-29-25-21-22-26-30-36-32-34(38)28-24-20-18-16-14-12-10-8-6-4-2/h33-38H,3-32H2,1-2H3
InChIKeyMPIHMXCAWAXHCD-UHFFFAOYSA-N
XLogP9.07
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.96
LogP ≤ 59.07
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-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
(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-hydroxytetradecylamino)hexylamino]tetradecan-2-ol?
The IUPAC name of 1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol (CID 21332395) is 1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol is CCCCCCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCCCCCCC.
What is the InChIKey of 1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol?
The InChIKey is MPIHMXCAWAXHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H72N2O2/c1-3-5-7-9-11-13-15-17-19-23-27-33(37)31-35-29-25-21-22-26-30-36-32-34(38)28-24-20-18-16-14-12-10-8-6-4-2/h33-38H,3-32H2,1-2H3.
What are the key properties of 1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol?
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol has a molecular weight of 540.96 g/mol, XLogP of 9.07, 33 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol is sourced from PubChem (CID 21332395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).