2-(diethylamino)hexadecan-1-ol

C20H43NO — CID 10064198

IUPAC2-(diethylamino)hexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(CO)N(CC)CC
InChIInChI=1S/C20H43NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(19-22)21(5-2)6-3/h20,22H,4-19H2,1-3H3
InChIKeyJCWUTYKPHDCCRQ-UHFFFAOYSA-N
MW313.57 g/mol
LogP5.78
Rot. Bonds17

About 2-(diethylamino)hexadecan-1-ol

2-(diethylamino)hexadecan-1-ol (PubChem CID 10064198) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is 2-(diethylamino)hexadecan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)hexadecan-1-ol
PubChem CID10064198
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC Name2-(diethylamino)hexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(CO)N(CC)CC
InChIInChI=1S/C20H43NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(19-22)21(5-2)6-3/h20,22H,4-19H2,1-3H3
InChIKeyJCWUTYKPHDCCRQ-UHFFFAOYSA-N
XLogP5.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)hexadecan-1-ol?
The IUPAC name of 2-(diethylamino)hexadecan-1-ol (CID 10064198) is 2-(diethylamino)hexadecan-1-ol.
What is the SMILES notation for 2-(diethylamino)hexadecan-1-ol?
The canonical SMILES for 2-(diethylamino)hexadecan-1-ol is CCCCCCCCCCCCCCC(CO)N(CC)CC.
What is the InChIKey of 2-(diethylamino)hexadecan-1-ol?
The InChIKey is JCWUTYKPHDCCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(19-22)21(5-2)6-3/h20,22H,4-19H2,1-3H3.
What are the key properties of 2-(diethylamino)hexadecan-1-ol?
2-(diethylamino)hexadecan-1-ol has a molecular weight of 313.57 g/mol, XLogP of 5.78, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)hexadecan-1-ol is sourced from PubChem (CID 10064198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).