2-(ethylamino)hexadecan-1-ol

C18H39NO — CID 10016808

IUPAC2-(ethylamino)hexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(CO)NCC
InChIInChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(17-20)19-4-2/h18-20H,3-17H2,1-2H3
InChIKeyNBFXPOZVZVLLKA-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.05
Rot. Bonds16

About 2-(ethylamino)hexadecan-1-ol

2-(ethylamino)hexadecan-1-ol (PubChem CID 10016808) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 2-(ethylamino)hexadecan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)hexadecan-1-ol
PubChem CID10016808
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name2-(ethylamino)hexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(CO)NCC
InChIInChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(17-20)19-4-2/h18-20H,3-17H2,1-2H3
InChIKeyNBFXPOZVZVLLKA-UHFFFAOYSA-N
XLogP5.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.05
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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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)hexadecan-1-ol?
The IUPAC name of 2-(ethylamino)hexadecan-1-ol (CID 10016808) is 2-(ethylamino)hexadecan-1-ol.
What is the SMILES notation for 2-(ethylamino)hexadecan-1-ol?
The canonical SMILES for 2-(ethylamino)hexadecan-1-ol is CCCCCCCCCCCCCCC(CO)NCC.
What is the InChIKey of 2-(ethylamino)hexadecan-1-ol?
The InChIKey is NBFXPOZVZVLLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(17-20)19-4-2/h18-20H,3-17H2,1-2H3.
What are the key properties of 2-(ethylamino)hexadecan-1-ol?
2-(ethylamino)hexadecan-1-ol has a molecular weight of 285.52 g/mol, XLogP of 5.05, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)hexadecan-1-ol is sourced from PubChem (CID 10016808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).