carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)

C20H28FeN2 — CID 147504192

IUPACcarbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C18H22N2.2CH3.Fe/c1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;;;/h5-14H,1-4H3;2*1H3;/q;2*-1;+2/b20-12+;;;
InChIKeyMUYPOLVPOAZJIO-TXBTUDEPSA-N
MW352.30 g/mol
LogP5.98
Rot. Bonds4

About carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)

carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+) (PubChem CID 147504192) has the molecular formula C20H28FeN2 and a molecular weight of 352.30 g/mol. Its IUPAC name is carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+).

Molecular Properties

Compound Namecarbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
PubChem CID147504192
Molecular FormulaC20H28FeN2
Molecular Weight352.30 g/mol
Exact Mass352.16
IUPAC Namecarbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C18H22N2.2CH3.Fe/c1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;;;/h5-14H,1-4H3;2*1H3;/q;2*-1;+2/b20-12+;;;
InChIKeyMUYPOLVPOAZJIO-TXBTUDEPSA-N
XLogP5.98
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.30
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
N-[4-[[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 68745734
N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine
CID 101384973
3,5-bis[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-4-methylphenol
CID 69491874
dicopper;N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;tetrachloride
CID 173174680
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride
CID 173243069
3,5-bis[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-4-methylphenol;bis(palladium);tetrahydrochloride
CID 173107750
N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;nickel;tetrahydrobromide
CID 173107632
N-[4-[3-bromo-2-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-6-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 69491774
3,5-bis[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-4-methylphenol;nickel;tetrahydrobromide
CID 173107048
3,5-bis[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-4-methylphenol;nickel;tetrahydrochloride
CID 173107193
N-[4-[5-bromo-3-[3,5-di(propan-2-yl)-4-(pyridin-2-ylmethylideneamino)phenyl]-2-methylphenyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;bis(palladium);tetrahydrochloride
CID 173107377

Frequently Asked Questions

What is the IUPAC name of carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)?
The IUPAC name of carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+) (CID 147504192) is carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+).
What is the SMILES notation for carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)?
The canonical SMILES for carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+) is CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)?
The InChIKey is MUYPOLVPOAZJIO-TXBTUDEPSA-N. The full InChI is InChI=1S/C18H22N2.2CH3.Fe/c1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15;;;/h5-14H,1-4H3;2*1H3;/q;2*-1;+2/b20-12+;;;.
What are the key properties of carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)?
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+) has a molecular weight of 352.30 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+) is sourced from PubChem (CID 147504192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).