2-(dimethylamino)ethyl formate

C5H11NO2 — CID 21444191

IUPAC2-(dimethylamino)ethyl formate
SMILESCN(C)CCOC=O
InChIInChI=1S/C5H11NO2/c1-6(2)3-4-8-5-7/h5H,3-4H2,1-2H3
InChIKeyYIONKIGVBTVBLM-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.28
Rot. Bonds4

About 2-(dimethylamino)ethyl formate

2-(dimethylamino)ethyl formate (PubChem CID 21444191) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl formate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl formate
PubChem CID21444191
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-(dimethylamino)ethyl formate
SMILESCN(C)CCOC=O
InChIInChI=1S/C5H11NO2/c1-6(2)3-4-8-5-7/h5H,3-4H2,1-2H3
InChIKeyYIONKIGVBTVBLM-UHFFFAOYSA-N
XLogP-0.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.28
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl formate?
The IUPAC name of 2-(dimethylamino)ethyl formate (CID 21444191) is 2-(dimethylamino)ethyl formate.
What is the SMILES notation for 2-(dimethylamino)ethyl formate?
The canonical SMILES for 2-(dimethylamino)ethyl formate is CN(C)CCOC=O.
What is the InChIKey of 2-(dimethylamino)ethyl formate?
The InChIKey is YIONKIGVBTVBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6(2)3-4-8-5-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl formate?
2-(dimethylamino)ethyl formate has a molecular weight of 117.15 g/mol, XLogP of -0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl formate is sourced from PubChem (CID 21444191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).