dichlorocopper;hexan-1-imine

C6H13Cl2CuN — CID 175941191

IUPACdichlorocopper;hexan-1-imine
SMILESCl[Cu]Cl.[H]/N=C/CCCCC
InChIInChI=1S/C6H13N.2ClH.Cu/c1-2-3-4-5-6-7;;;/h6-7H,2-5H2,1H3;2*1H;/q;;;+2/p-2/b7-6+;;;
InChIKeyWHQXHYLNFBDOLZ-ZMVRRDJGSA-L
MW233.63 g/mol
LogP3.59
Rot. Bonds4

About dichlorocopper;hexan-1-imine

dichlorocopper;hexan-1-imine (PubChem CID 175941191) has the molecular formula C6H13Cl2CuN and a molecular weight of 233.63 g/mol. Its IUPAC name is dichlorocopper;hexan-1-imine.

Molecular Properties

Compound Namedichlorocopper;hexan-1-imine
PubChem CID175941191
Molecular FormulaC6H13Cl2CuN
Molecular Weight233.63 g/mol
Exact Mass231.97
IUPAC Namedichlorocopper;hexan-1-imine
SMILESCl[Cu]Cl.[H]/N=C/CCCCC
InChIInChI=1S/C6H13N.2ClH.Cu/c1-2-3-4-5-6-7;;;/h6-7H,2-5H2,1H3;2*1H;/q;;;+2/p-2/b7-6+;;;
InChIKeyWHQXHYLNFBDOLZ-ZMVRRDJGSA-L
XLogP3.59
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

azane;hexan-1-imine
CID 158895938
hexan-1-imine;platinum;dihydrate
CID 175690790
hexan-1-imine;platinum(4+);dicarbonate
CID 175704271
bis(cobalt(3+));hexan-1-imine;trisulfate
CID 86757216
hexane-1,6-diimine;hydrochloride
CID 175422205
N-(3-iminopropyl)tetradecan-1-amine
CID 57007128
octane-1,5-diimine
CID 129214712
N-ethyl-4-iminobutan-1-amine
CID 155382614
6-methylnon-5-en-1-imine
CID 90789693
4-methylsulfanylbutan-1-imine
CID 88877345
3-propylsulfanylpropan-1-imine
CID 123742984
3-imino-N-propylpropan-1-amine;iodomethane
CID 161000431

Frequently Asked Questions

What is the IUPAC name of dichlorocopper;hexan-1-imine?
The IUPAC name of dichlorocopper;hexan-1-imine (CID 175941191) is dichlorocopper;hexan-1-imine.
What is the SMILES notation for dichlorocopper;hexan-1-imine?
The canonical SMILES for dichlorocopper;hexan-1-imine is Cl[Cu]Cl.[H]/N=C/CCCCC.
What is the InChIKey of dichlorocopper;hexan-1-imine?
The InChIKey is WHQXHYLNFBDOLZ-ZMVRRDJGSA-L. The full InChI is InChI=1S/C6H13N.2ClH.Cu/c1-2-3-4-5-6-7;;;/h6-7H,2-5H2,1H3;2*1H;/q;;;+2/p-2/b7-6+;;;.
What are the key properties of dichlorocopper;hexan-1-imine?
dichlorocopper;hexan-1-imine has a molecular weight of 233.63 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;hexan-1-imine is sourced from PubChem (CID 175941191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).