1-(hexadecylamino)undecan-2-ol

C27H57NO — CID 50915787

IUPAC1-(hexadecylamino)undecan-2-ol
SMILESCCCCCCCCCCCCCCCCNCC(O)CCCCCCCCC
InChIInChI=1S/C27H57NO/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-28-26-27(29)24-22-20-18-10-8-6-4-2/h27-29H,3-26H2,1-2H3
InChIKeyOCYWZHMCUUBIIS-UHFFFAOYSA-N
MW411.76 g/mol
LogP8.56
Rot. Bonds25

About 1-(hexadecylamino)undecan-2-ol

1-(hexadecylamino)undecan-2-ol (PubChem CID 50915787) has the molecular formula C27H57NO and a molecular weight of 411.76 g/mol. Its IUPAC name is 1-(hexadecylamino)undecan-2-ol.

Molecular Properties

Compound Name1-(hexadecylamino)undecan-2-ol
PubChem CID50915787
Molecular FormulaC27H57NO
Molecular Weight411.76 g/mol
Exact Mass411.44
IUPAC Name1-(hexadecylamino)undecan-2-ol
SMILESCCCCCCCCCCCCCCCCNCC(O)CCCCCCCCC
InChIInChI=1S/C27H57NO/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-28-26-27(29)24-22-20-18-10-8-6-4-2/h27-29H,3-26H2,1-2H3
InChIKeyOCYWZHMCUUBIIS-UHFFFAOYSA-N
XLogP8.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.76
LogP ≤ 58.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
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-(hexadecylamino)undecan-2-ol?
The IUPAC name of 1-(hexadecylamino)undecan-2-ol (CID 50915787) is 1-(hexadecylamino)undecan-2-ol.
What is the SMILES notation for 1-(hexadecylamino)undecan-2-ol?
The canonical SMILES for 1-(hexadecylamino)undecan-2-ol is CCCCCCCCCCCCCCCCNCC(O)CCCCCCCCC.
What is the InChIKey of 1-(hexadecylamino)undecan-2-ol?
The InChIKey is OCYWZHMCUUBIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57NO/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-28-26-27(29)24-22-20-18-10-8-6-4-2/h27-29H,3-26H2,1-2H3.
What are the key properties of 1-(hexadecylamino)undecan-2-ol?
1-(hexadecylamino)undecan-2-ol has a molecular weight of 411.76 g/mol, XLogP of 8.56, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexadecylamino)undecan-2-ol is sourced from PubChem (CID 50915787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).