2-(diethylamino)ethyl hypochlorite

C6H14ClNO — CID 87389474

IUPAC2-(diethylamino)ethyl hypochlorite
SMILESCCN(CC)CCOCl
InChIInChI=1S/C6H14ClNO/c1-3-8(4-2)5-6-9-7/h3-6H2,1-2H3
InChIKeyKLMFEQSZJKSUOZ-UHFFFAOYSA-N
MW151.64 g/mol
LogP1.50
Rot. Bonds5

About 2-(diethylamino)ethyl hypochlorite

2-(diethylamino)ethyl hypochlorite (PubChem CID 87389474) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 2-(diethylamino)ethyl hypochlorite.

Molecular Properties

Compound Name2-(diethylamino)ethyl hypochlorite
PubChem CID87389474
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name2-(diethylamino)ethyl hypochlorite
SMILESCCN(CC)CCOCl
InChIInChI=1S/C6H14ClNO/c1-3-8(4-2)5-6-9-7/h3-6H2,1-2H3
InChIKeyKLMFEQSZJKSUOZ-UHFFFAOYSA-N
XLogP1.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl hypochlorite?
The IUPAC name of 2-(diethylamino)ethyl hypochlorite (CID 87389474) is 2-(diethylamino)ethyl hypochlorite.
What is the SMILES notation for 2-(diethylamino)ethyl hypochlorite?
The canonical SMILES for 2-(diethylamino)ethyl hypochlorite is CCN(CC)CCOCl.
What is the InChIKey of 2-(diethylamino)ethyl hypochlorite?
The InChIKey is KLMFEQSZJKSUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO/c1-3-8(4-2)5-6-9-7/h3-6H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl hypochlorite?
2-(diethylamino)ethyl hypochlorite has a molecular weight of 151.64 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl hypochlorite is sourced from PubChem (CID 87389474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).