1-[2-(diethylamino)ethylamino]octadecan-2-ol

C24H52N2O — CID 14618855

IUPAC1-[2-(diethylamino)ethylamino]octadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC(O)CNCCN(CC)CC
InChIInChI=1S/C24H52N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)23-25-21-22-26(5-2)6-3/h24-25,27H,4-23H2,1-3H3
InChIKeyLVULCWUDPHGLJM-UHFFFAOYSA-N
MW384.69 g/mol
LogP6.15
Rot. Bonds22

About 1-[2-(diethylamino)ethylamino]octadecan-2-ol

1-[2-(diethylamino)ethylamino]octadecan-2-ol (PubChem CID 14618855) has the molecular formula C24H52N2O and a molecular weight of 384.69 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]octadecan-2-ol.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]octadecan-2-ol
PubChem CID14618855
Molecular FormulaC24H52N2O
Molecular Weight384.69 g/mol
Exact Mass384.41
IUPAC Name1-[2-(diethylamino)ethylamino]octadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC(O)CNCCN(CC)CC
InChIInChI=1S/C24H52N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)23-25-21-22-26(5-2)6-3/h24-25,27H,4-23H2,1-3H3
InChIKeyLVULCWUDPHGLJM-UHFFFAOYSA-N
XLogP6.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[2-(diethylamino)ethylamino]octadecan-2-ol?
The IUPAC name of 1-[2-(diethylamino)ethylamino]octadecan-2-ol (CID 14618855) is 1-[2-(diethylamino)ethylamino]octadecan-2-ol.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]octadecan-2-ol?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]octadecan-2-ol is CCCCCCCCCCCCCCCCC(O)CNCCN(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]octadecan-2-ol?
The InChIKey is LVULCWUDPHGLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)23-25-21-22-26(5-2)6-3/h24-25,27H,4-23H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)ethylamino]octadecan-2-ol?
1-[2-(diethylamino)ethylamino]octadecan-2-ol has a molecular weight of 384.69 g/mol, XLogP of 6.15, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]octadecan-2-ol is sourced from PubChem (CID 14618855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).