19-(diethylamino)nonadecyl formate

C24H49NO2 — CID 87851471

IUPAC19-(diethylamino)nonadecyl formate
SMILESCCN(CC)CCCCCCCCCCCCCCCCCCCOC=O
InChIInChI=1S/C24H49NO2/c1-3-25(4-2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-27-24-26/h24H,3-23H2,1-2H3
InChIKeyFFURTSPAIJWYKL-UHFFFAOYSA-N
MW383.66 g/mol
LogP7.13
Rot. Bonds23

About 19-(diethylamino)nonadecyl formate

19-(diethylamino)nonadecyl formate (PubChem CID 87851471) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is 19-(diethylamino)nonadecyl formate.

Molecular Properties

Compound Name19-(diethylamino)nonadecyl formate
PubChem CID87851471
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Name19-(diethylamino)nonadecyl formate
SMILESCCN(CC)CCCCCCCCCCCCCCCCCCCOC=O
InChIInChI=1S/C24H49NO2/c1-3-25(4-2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-27-24-26/h24H,3-23H2,1-2H3
InChIKeyFFURTSPAIJWYKL-UHFFFAOYSA-N
XLogP7.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 57.13
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

20-(diethylamino)icosyl formate
CID 87852007
16-(diethylamino)hexadecyl formate
CID 87852321
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 19-(diethylamino)nonadecyl formate?
The IUPAC name of 19-(diethylamino)nonadecyl formate (CID 87851471) is 19-(diethylamino)nonadecyl formate.
What is the SMILES notation for 19-(diethylamino)nonadecyl formate?
The canonical SMILES for 19-(diethylamino)nonadecyl formate is CCN(CC)CCCCCCCCCCCCCCCCCCCOC=O.
What is the InChIKey of 19-(diethylamino)nonadecyl formate?
The InChIKey is FFURTSPAIJWYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2/c1-3-25(4-2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-27-24-26/h24H,3-23H2,1-2H3.
What are the key properties of 19-(diethylamino)nonadecyl formate?
19-(diethylamino)nonadecyl formate has a molecular weight of 383.66 g/mol, XLogP of 7.13, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(diethylamino)nonadecyl formate is sourced from PubChem (CID 87851471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).