zinc;N,N-diethylethanamine;chloride

C6H15ClNZn+ — CID 19867119

IUPACzinc;N,N-diethylethanamine;chloride
SMILESCCN(CC)CC.[Cl-].[Zn+2]
InChIInChI=1S/C6H15N.ClH.Zn/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;1H;/q;;+2/p-1
InChIKeyBFIMRBXNOCNCNQ-UHFFFAOYSA-M
MW202.04 g/mol
LogP-1.65
Rot. Bonds3

About zinc;N,N-diethylethanamine;chloride

zinc;N,N-diethylethanamine;chloride (PubChem CID 19867119) has the molecular formula C6H15ClNZn+ and a molecular weight of 202.04 g/mol. Its IUPAC name is zinc;N,N-diethylethanamine;chloride.

Molecular Properties

Compound Namezinc;N,N-diethylethanamine;chloride
PubChem CID19867119
Molecular FormulaC6H15ClNZn+
Molecular Weight202.04 g/mol
Exact Mass200.02
IUPAC Namezinc;N,N-diethylethanamine;chloride
SMILESCCN(CC)CC.[Cl-].[Zn+2]
InChIInChI=1S/C6H15N.ClH.Zn/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;1H;/q;;+2/p-1
InChIKeyBFIMRBXNOCNCNQ-UHFFFAOYSA-M
XLogP-1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 5-1.65
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

N,N-diethylethanamine chloride
CID 22292735
aluminum;N,N-diethylethanamine;trichloride
CID 86649339
N,N-diethylethanamine;neodymium(3+);trichloride
CID 173208753
N,N-diethylethanamine;ethane
CID 22114990
CID 175820473
CID 175820473
N,N-diethylethanamine;palladium(2+)
CID 22219787
bis(N,N-diethylethanamine);dihydrate
CID 173331052
N,N-diethylethanamine;λ2-stannane;dihydrochloride
CID 175189079
CID 173397842
CID 173397842
N,N-diethylethanamine;ethene
CID 90857968
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858
N,N-diethylethanamine;hydrate;trihydrofluoride
CID 172684956

Frequently Asked Questions

What is the IUPAC name of zinc;N,N-diethylethanamine;chloride?
The IUPAC name of zinc;N,N-diethylethanamine;chloride (CID 19867119) is zinc;N,N-diethylethanamine;chloride.
What is the SMILES notation for zinc;N,N-diethylethanamine;chloride?
The canonical SMILES for zinc;N,N-diethylethanamine;chloride is CCN(CC)CC.[Cl-].[Zn+2].
What is the InChIKey of zinc;N,N-diethylethanamine;chloride?
The InChIKey is BFIMRBXNOCNCNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15N.ClH.Zn/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;1H;/q;;+2/p-1.
What are the key properties of zinc;N,N-diethylethanamine;chloride?
zinc;N,N-diethylethanamine;chloride has a molecular weight of 202.04 g/mol, XLogP of -1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;N,N-diethylethanamine;chloride is sourced from PubChem (CID 19867119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).