12-(diethylamino)dodecyl formate

C17H35NO2 — CID 87851573

IUPAC12-(diethylamino)dodecyl formate
SMILESCCN(CC)CCCCCCCCCCCCOC=O
InChIInChI=1S/C17H35NO2/c1-3-18(4-2)15-13-11-9-7-5-6-8-10-12-14-16-20-17-19/h17H,3-16H2,1-2H3
InChIKeySHNZYVHSUBHRSX-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.40
Rot. Bonds16

About 12-(diethylamino)dodecyl formate

12-(diethylamino)dodecyl formate (PubChem CID 87851573) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 12-(diethylamino)dodecyl formate.

Molecular Properties

Compound Name12-(diethylamino)dodecyl formate
PubChem CID87851573
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name12-(diethylamino)dodecyl formate
SMILESCCN(CC)CCCCCCCCCCCCOC=O
InChIInChI=1S/C17H35NO2/c1-3-18(4-2)15-13-11-9-7-5-6-8-10-12-14-16-20-17-19/h17H,3-16H2,1-2H3
InChIKeySHNZYVHSUBHRSX-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.40
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
13-[butyl(ethyl)amino]tridecyl formate
CID 87852279
6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate
CID 170071479
20-[20-(diethylamino)icosoxy]-N,N-diethylicosan-1-amine
CID 87698049
hexacosyl formate
CID 87446465
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 12-(diethylamino)dodecyl formate?
The IUPAC name of 12-(diethylamino)dodecyl formate (CID 87851573) is 12-(diethylamino)dodecyl formate.
What is the SMILES notation for 12-(diethylamino)dodecyl formate?
The canonical SMILES for 12-(diethylamino)dodecyl formate is CCN(CC)CCCCCCCCCCCCOC=O.
What is the InChIKey of 12-(diethylamino)dodecyl formate?
The InChIKey is SHNZYVHSUBHRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-3-18(4-2)15-13-11-9-7-5-6-8-10-12-14-16-20-17-19/h17H,3-16H2,1-2H3.
What are the key properties of 12-(diethylamino)dodecyl formate?
12-(diethylamino)dodecyl formate has a molecular weight of 285.47 g/mol, XLogP of 4.40, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(diethylamino)dodecyl formate is sourced from PubChem (CID 87851573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).