13-[butyl(ethyl)amino]tridecyl formate

C20H41NO2 — CID 87852279

IUPAC13-[butyl(ethyl)amino]tridecyl formate
SMILESCCCCN(CC)CCCCCCCCCCCCCOC=O
InChIInChI=1S/C20H41NO2/c1-3-5-17-21(4-2)18-15-13-11-9-7-6-8-10-12-14-16-19-23-20-22/h20H,3-19H2,1-2H3
InChIKeyLETCIJOVKXMMLL-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.57
Rot. Bonds19

About 13-[butyl(ethyl)amino]tridecyl formate

13-[butyl(ethyl)amino]tridecyl formate (PubChem CID 87852279) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 13-[butyl(ethyl)amino]tridecyl formate.

Molecular Properties

Compound Name13-[butyl(ethyl)amino]tridecyl formate
PubChem CID87852279
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name13-[butyl(ethyl)amino]tridecyl formate
SMILESCCCCN(CC)CCCCCCCCCCCCCOC=O
InChIInChI=1S/C20H41NO2/c1-3-5-17-21(4-2)18-15-13-11-9-7-6-8-10-12-14-16-19-23-20-22/h20H,3-19H2,1-2H3
InChIKeyLETCIJOVKXMMLL-UHFFFAOYSA-N
XLogP5.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.57
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
16-(diethylamino)hexadecyl formate
CID 87852321
12-(diethylamino)dodecyl formate
CID 87851573
hexacosyl formate
CID 87446465
decyl formate;hydrochloride
CID 174405844
CID 162323226
CID 162323226
5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate
CID 170224824
6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate
CID 170071479
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
nonyl 8-[7-formyloxyheptyl(2-hydroxyethyl)amino]octanoate
CID 146475396
5-ethenoxy-N,N-dipentylpentan-1-amine
CID 139652992

Frequently Asked Questions

What is the IUPAC name of 13-[butyl(ethyl)amino]tridecyl formate?
The IUPAC name of 13-[butyl(ethyl)amino]tridecyl formate (CID 87852279) is 13-[butyl(ethyl)amino]tridecyl formate.
What is the SMILES notation for 13-[butyl(ethyl)amino]tridecyl formate?
The canonical SMILES for 13-[butyl(ethyl)amino]tridecyl formate is CCCCN(CC)CCCCCCCCCCCCCOC=O.
What is the InChIKey of 13-[butyl(ethyl)amino]tridecyl formate?
The InChIKey is LETCIJOVKXMMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-3-5-17-21(4-2)18-15-13-11-9-7-6-8-10-12-14-16-19-23-20-22/h20H,3-19H2,1-2H3.
What are the key properties of 13-[butyl(ethyl)amino]tridecyl formate?
13-[butyl(ethyl)amino]tridecyl formate has a molecular weight of 327.55 g/mol, XLogP of 5.57, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[butyl(ethyl)amino]tridecyl formate is sourced from PubChem (CID 87852279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).