1-(hexylamino)hexadecan-2-ol

C22H47NO — CID 57402860

IUPAC1-(hexylamino)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNCCCCCC
InChIInChI=1S/C22H47NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-22(24)21-23-20-18-8-6-4-2/h22-24H,3-21H2,1-2H3
InChIKeyZGKVBXLMKNSAFC-UHFFFAOYSA-N
MW341.62 g/mol
LogP6.61
Rot. Bonds20

About 1-(hexylamino)hexadecan-2-ol

1-(hexylamino)hexadecan-2-ol (PubChem CID 57402860) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is 1-(hexylamino)hexadecan-2-ol.

Molecular Properties

Compound Name1-(hexylamino)hexadecan-2-ol
PubChem CID57402860
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC Name1-(hexylamino)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNCCCCCC
InChIInChI=1S/C22H47NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-22(24)21-23-20-18-8-6-4-2/h22-24H,3-21H2,1-2H3
InChIKeyZGKVBXLMKNSAFC-UHFFFAOYSA-N
XLogP6.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 56.61
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-(Piperidin-2-yl)propan-1-ol
CID 10314
1-[(2-Hydroxyethyl)amino]-2-dodecanol
CID 10988562
1-(Cyclohexylamino)hexadecan-2-ol
CID 10337278
2-(Dodecylamino)butan-1-ol
CID 10491396
1-(Propan-2-ylamino)hexadecan-2-ol
CID 20261248
(2S,3S,5S)-2-(methylamino)octadecane-3,5-diol
CID 53248834
(3S,6S)-6-Propyl-3-piperidinol
CID 120641
Conhydrine
CID 11744748
2-(Butylamino)hexadecan-1-ol
CID 44420150
2-(Ethylamino)octadecan-1-ol
CID 56835111
2-(Tetradecylamino)ethanol
CID 71874
1-(Diethylamino)hexadecan-2-ol
CID 57390598

Frequently Asked Questions

What is the IUPAC name of 1-(hexylamino)hexadecan-2-ol?
The IUPAC name of 1-(hexylamino)hexadecan-2-ol (CID 57402860) is 1-(hexylamino)hexadecan-2-ol.
What is the SMILES notation for 1-(hexylamino)hexadecan-2-ol?
The canonical SMILES for 1-(hexylamino)hexadecan-2-ol is CCCCCCCCCCCCCCC(O)CNCCCCCC.
What is the InChIKey of 1-(hexylamino)hexadecan-2-ol?
The InChIKey is ZGKVBXLMKNSAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-22(24)21-23-20-18-8-6-4-2/h22-24H,3-21H2,1-2H3.
What are the key properties of 1-(hexylamino)hexadecan-2-ol?
1-(hexylamino)hexadecan-2-ol has a molecular weight of 341.62 g/mol, XLogP of 6.61, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexylamino)hexadecan-2-ol is sourced from PubChem (CID 57402860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).