carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron

C17H24FeN2O3 — CID 533593

IUPACcarbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron
SMILESC(/C=N/C1CCCCC1)=N\C1CCCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C14H24N2.3CO.Fe/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;3*1-2;/h11-14H,1-10H2;;;;/b15-11+,16-12+;;;;
InChIKeyGXYCKYFKCBHZCJ-VCOCBPDDSA-N
MW360.24 g/mol
LogP3.68
Rot. Bonds3

About carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron

carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron (PubChem CID 533593) has the molecular formula C17H24FeN2O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron.

Molecular Properties

Compound Namecarbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron
PubChem CID533593
Molecular FormulaC17H24FeN2O3
Molecular Weight360.24 g/mol
Exact Mass360.11
IUPAC Namecarbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron
SMILESC(/C=N/C1CCCCC1)=N\C1CCCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C14H24N2.3CO.Fe/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;3*1-2;/h11-14H,1-10H2;;;;/b15-11+,16-12+;;;;
InChIKeyGXYCKYFKCBHZCJ-VCOCBPDDSA-N
XLogP3.68
TPSA84.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyliminoacetaldehyde
CID 87851899
N'-cyclohex-3-en-1-yl-N-cyclohexylethane-1,2-diimine
CID 101419683
3-cyclopentyliminoprop-1-en-1-one
CID 13170651
N-cyclohexylpropan-1-imine
CID 3489363
N-cyclopentyl-1-cyclopropylmethanimine
CID 135072127
3-cyclohexyliminopropanenitrile
CID 54514865
N'-cyclobutylmethanimidamide
CID 54346963
N-cyclohexyl-1-[5-(cyclohexyliminomethyl)thiophen-2-yl]methanimine
CID 15443759
3-cyclohexyliminopropanamide
CID 91368526
3-cyclohexyliminopropanethioamide
CID 91161039
N'-cycloundecylmethanediimine
CID 166908646
nitrosocyclopentadecane
CID 89341033

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron?
The IUPAC name of carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron (CID 533593) is carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron.
What is the SMILES notation for carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron?
The canonical SMILES for carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron is C(/C=N/C1CCCCC1)=N\C1CCCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron?
The InChIKey is GXYCKYFKCBHZCJ-VCOCBPDDSA-N. The full InChI is InChI=1S/C14H24N2.3CO.Fe/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;3*1-2;/h11-14H,1-10H2;;;;/b15-11+,16-12+;;;;.
What are the key properties of carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron?
carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron has a molecular weight of 360.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron is sourced from PubChem (CID 533593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).