1-(propylamino)hexadecan-2-ol

C19H41NO — CID 88695975

IUPAC1-(propylamino)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNCCC
InChIInChI=1S/C19H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(21)18-20-17-4-2/h19-21H,3-18H2,1-2H3
InChIKeyHLXURUUJHAZBMA-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.44
Rot. Bonds17

About 1-(propylamino)hexadecan-2-ol

1-(propylamino)hexadecan-2-ol (PubChem CID 88695975) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 1-(propylamino)hexadecan-2-ol.

Molecular Properties

Compound Name1-(propylamino)hexadecan-2-ol
PubChem CID88695975
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name1-(propylamino)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNCCC
InChIInChI=1S/C19H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(21)18-20-17-4-2/h19-21H,3-18H2,1-2H3
InChIKeyHLXURUUJHAZBMA-UHFFFAOYSA-N
XLogP5.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.44
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

(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-[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
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
CID 165109724

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)hexadecan-2-ol?
The IUPAC name of 1-(propylamino)hexadecan-2-ol (CID 88695975) is 1-(propylamino)hexadecan-2-ol.
What is the SMILES notation for 1-(propylamino)hexadecan-2-ol?
The canonical SMILES for 1-(propylamino)hexadecan-2-ol is CCCCCCCCCCCCCCC(O)CNCCC.
What is the InChIKey of 1-(propylamino)hexadecan-2-ol?
The InChIKey is HLXURUUJHAZBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(21)18-20-17-4-2/h19-21H,3-18H2,1-2H3.
What are the key properties of 1-(propylamino)hexadecan-2-ol?
1-(propylamino)hexadecan-2-ol has a molecular weight of 299.54 g/mol, XLogP of 5.44, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)hexadecan-2-ol is sourced from PubChem (CID 88695975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).