N,N-diethylethanamine;zinc;dihydrochloride

C6H17Cl2NZn — CID 175296051

IUPACN,N-diethylethanamine;zinc;dihydrochloride
SMILESCCN(CC)CC.Cl.Cl.[Zn]
InChIInChI=1S/C6H15N.2ClH.Zn/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;2*1H;
InChIKeyBCELTQCHFKGHGA-UHFFFAOYSA-N
MW239.50 g/mol
LogP2.19
Rot. Bonds3

About N,N-diethylethanamine;zinc;dihydrochloride

N,N-diethylethanamine;zinc;dihydrochloride (PubChem CID 175296051) has the molecular formula C6H17Cl2NZn and a molecular weight of 239.50 g/mol. Its IUPAC name is N,N-diethylethanamine;zinc;dihydrochloride.

Molecular Properties

Compound NameN,N-diethylethanamine;zinc;dihydrochloride
PubChem CID175296051
Molecular FormulaC6H17Cl2NZn
Molecular Weight239.50 g/mol
Exact Mass237.00
IUPAC NameN,N-diethylethanamine;zinc;dihydrochloride
SMILESCCN(CC)CC.Cl.Cl.[Zn]
InChIInChI=1S/C6H15N.2ClH.Zn/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;2*1H;
InChIKeyBCELTQCHFKGHGA-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.50
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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alumane;N,N-diethylethanamine;hydrochloride
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N,N-diethylethanamine chloride
CID 22292735
CID 175820473
CID 175820473
N,N-diethylethanamine;palladium(2+)
CID 22219787
bis(N,N-diethylethanamine);dihydrate
CID 173331052
benzene;N,N-diethylethanamine;hydrochloride
CID 173044195
aluminum;N,N-diethylethanamine;trichloride
CID 86649339
CID 173397842
CID 173397842
N,N-diethylethanamine;ethene
CID 90857968
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;zinc;dihydrochloride?
The IUPAC name of N,N-diethylethanamine;zinc;dihydrochloride (CID 175296051) is N,N-diethylethanamine;zinc;dihydrochloride.
What is the SMILES notation for N,N-diethylethanamine;zinc;dihydrochloride?
The canonical SMILES for N,N-diethylethanamine;zinc;dihydrochloride is CCN(CC)CC.Cl.Cl.[Zn].
What is the InChIKey of N,N-diethylethanamine;zinc;dihydrochloride?
The InChIKey is BCELTQCHFKGHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.2ClH.Zn/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;2*1H;.
What are the key properties of N,N-diethylethanamine;zinc;dihydrochloride?
N,N-diethylethanamine;zinc;dihydrochloride has a molecular weight of 239.50 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;zinc;dihydrochloride is sourced from PubChem (CID 175296051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).