N,N-diethylethanamine;hypochlorous acid

C6H16ClNO — CID 87187871

IUPACN,N-diethylethanamine;hypochlorous acid
SMILESCCN(CC)CC.OCl
InChIInChI=1S/C6H15N.ClHO/c1-4-7(5-2)6-3;1-2/h4-6H2,1-3H3;2H
InChIKeyZFNXAERRNLAFMV-UHFFFAOYSA-N
MW153.65 g/mol
LogP1.48
Rot. Bonds3

About N,N-diethylethanamine;hypochlorous acid

N,N-diethylethanamine;hypochlorous acid (PubChem CID 87187871) has the molecular formula C6H16ClNO and a molecular weight of 153.65 g/mol. Its IUPAC name is N,N-diethylethanamine;hypochlorous acid.

Molecular Properties

Compound NameN,N-diethylethanamine;hypochlorous acid
PubChem CID87187871
Molecular FormulaC6H16ClNO
Molecular Weight153.65 g/mol
Exact Mass153.09
IUPAC NameN,N-diethylethanamine;hypochlorous acid
SMILESCCN(CC)CC.OCl
InChIInChI=1S/C6H15N.ClHO/c1-4-7(5-2)6-3;1-2/h4-6H2,1-3H3;2H
InChIKeyZFNXAERRNLAFMV-UHFFFAOYSA-N
XLogP1.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.65
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;hypochlorous acid?
The IUPAC name of N,N-diethylethanamine;hypochlorous acid (CID 87187871) is N,N-diethylethanamine;hypochlorous acid.
What is the SMILES notation for N,N-diethylethanamine;hypochlorous acid?
The canonical SMILES for N,N-diethylethanamine;hypochlorous acid is CCN(CC)CC.OCl.
What is the InChIKey of N,N-diethylethanamine;hypochlorous acid?
The InChIKey is ZFNXAERRNLAFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.ClHO/c1-4-7(5-2)6-3;1-2/h4-6H2,1-3H3;2H.
What are the key properties of N,N-diethylethanamine;hypochlorous acid?
N,N-diethylethanamine;hypochlorous acid has a molecular weight of 153.65 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;hypochlorous acid is sourced from PubChem (CID 87187871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).