16-(diethylamino)hexadecyl formate

C21H43NO2 — CID 87852321

IUPAC16-(diethylamino)hexadecyl formate
SMILESCCN(CC)CCCCCCCCCCCCCCCCOC=O
InChIInChI=1S/C21H43NO2/c1-3-22(4-2)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-24-21-23/h21H,3-20H2,1-2H3
InChIKeyFDXJCNQJDUHGKN-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.96
Rot. Bonds20

About 16-(diethylamino)hexadecyl formate

16-(diethylamino)hexadecyl formate (PubChem CID 87852321) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 16-(diethylamino)hexadecyl formate.

Molecular Properties

Compound Name16-(diethylamino)hexadecyl formate
PubChem CID87852321
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name16-(diethylamino)hexadecyl formate
SMILESCCN(CC)CCCCCCCCCCCCCCCCOC=O
InChIInChI=1S/C21H43NO2/c1-3-22(4-2)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-24-21-23/h21H,3-20H2,1-2H3
InChIKeyFDXJCNQJDUHGKN-UHFFFAOYSA-N
XLogP5.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

19-(diethylamino)nonadecyl formate
CID 87851471
20-(diethylamino)icosyl formate
CID 87852007
12-(diethylamino)dodecyl formate
CID 87851573
13-[butyl(ethyl)amino]tridecyl formate
CID 87852279
6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate
CID 170071479
hexacosyl formate
CID 87446465
20-[20-(diethylamino)icosoxy]-N,N-diethylicosan-1-amine
CID 87698049
CID 162323226
CID 162323226
decyl formate;hydrochloride
CID 174405844
5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate
CID 170224824
bis[6-(diethylamino)hexyl] carbonate
CID 54452513
nonyl 8-[7-formyloxyheptyl(2-hydroxyethyl)amino]octanoate
CID 146475396

Frequently Asked Questions

What is the IUPAC name of 16-(diethylamino)hexadecyl formate?
The IUPAC name of 16-(diethylamino)hexadecyl formate (CID 87852321) is 16-(diethylamino)hexadecyl formate.
What is the SMILES notation for 16-(diethylamino)hexadecyl formate?
The canonical SMILES for 16-(diethylamino)hexadecyl formate is CCN(CC)CCCCCCCCCCCCCCCCOC=O.
What is the InChIKey of 16-(diethylamino)hexadecyl formate?
The InChIKey is FDXJCNQJDUHGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-3-22(4-2)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-24-21-23/h21H,3-20H2,1-2H3.
What are the key properties of 16-(diethylamino)hexadecyl formate?
16-(diethylamino)hexadecyl formate has a molecular weight of 341.58 g/mol, XLogP of 5.96, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(diethylamino)hexadecyl formate is sourced from PubChem (CID 87852321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).