copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate

C21H23CuF6N3P — CID 11168508

IUPACcopper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[2H]C([2H])(c1ccccc1)N(CCc1ccccn1)CCc1ccccn1.[Cu+]
InChIInChI=1S/C21H23N3.Cu.F6P/c1-2-8-19(9-3-1)18-24(16-12-20-10-4-6-14-22-20)17-13-21-11-5-7-15-23-21;;1-7(2,3,4,5)6/h1-11,14-15H,12-13,16-18H2;;/q;+1;-1/i18D2;;
InChIKeyDPXLVPNXVIZQLR-SBZCUTMTSA-N
MW527.96 g/mol
LogP7.14
Rot. Bonds8

About copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate

copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate (PubChem CID 11168508) has the molecular formula C21H23CuF6N3P and a molecular weight of 527.96 g/mol. Its IUPAC name is copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate.

Molecular Properties

Compound Namecopper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate
PubChem CID11168508
Molecular FormulaC21H23CuF6N3P
Molecular Weight527.96 g/mol
Exact Mass527.10
IUPAC Namecopper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.[2H]C([2H])(c1ccccc1)N(CCc1ccccn1)CCc1ccccn1.[Cu+]
InChIInChI=1S/C21H23N3.Cu.F6P/c1-2-8-19(9-3-1)18-24(16-12-20-10-4-6-14-22-20)17-13-21-11-5-7-15-23-21;;1-7(2,3,4,5)6/h1-11,14-15H,12-13,16-18H2;;/q;+1;-1/i18D2;;
InChIKeyDPXLVPNXVIZQLR-SBZCUTMTSA-N
XLogP7.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.96
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[dideuterio(pyridin-2-yl)methyl]-N-ethyl-2-pyridin-2-ylethanamine
CID 101128708
N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine;hydrochloride
CID 3053599
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067
zinc;2-pyridin-2-yl-N,N-bis(2-pyridin-2-ylethyl)ethanamine;diperchlorate
CID 139055995
2-(7-phenylheptyl)pyridine
CID 54510986
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299
2-[[bis(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 15244964
ethane;N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172838
[phosphonomethyl(2-pyridin-2-ylethyl)amino]methylphosphonic acid
CID 15290103
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406

Frequently Asked Questions

What is the IUPAC name of copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate?
The IUPAC name of copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate (CID 11168508) is copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate.
What is the SMILES notation for copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate?
The canonical SMILES for copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate is F[P-](F)(F)(F)(F)F.[2H]C([2H])(c1ccccc1)N(CCc1ccccn1)CCc1ccccn1.[Cu+].
What is the InChIKey of copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate?
The InChIKey is DPXLVPNXVIZQLR-SBZCUTMTSA-N. The full InChI is InChI=1S/C21H23N3.Cu.F6P/c1-2-8-19(9-3-1)18-24(16-12-20-10-4-6-14-22-20)17-13-21-11-5-7-15-23-21;;1-7(2,3,4,5)6/h1-11,14-15H,12-13,16-18H2;;/q;+1;-1/i18D2;;.
What are the key properties of copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate?
copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate has a molecular weight of 527.96 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);N-[dideuterio(phenyl)methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;hexafluorophosphate is sourced from PubChem (CID 11168508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).