CID 11850391

C26H36FeN2+2 — CID 11850391

IUPAC—
SMILESCC(NCCNc1c(C(C)C)cccc1C(C)C)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C21H31N2.C5H5.Fe/c1-15(2)19-11-8-12-20(16(3)4)21(19)23-14-13-22-17(5)18-9-6-7-10-18;1-2-4-5-3-1;/h6-12,15-17,22-23H,13-14H2,1-5H3;1-5H;/q;;+2
InChIKeyQOSMCCDWVNPDHD-UHFFFAOYSA-N
MW432.43 g/mol
LogP5.75
Rot. Bonds8

About CID 11850391

CID 11850391 (PubChem CID 11850391) has the molecular formula C26H36FeN2+2 and a molecular weight of 432.43 g/mol.

Molecular Properties

Compound NameCID 11850391
PubChem CID11850391
Molecular FormulaC26H36FeN2+2
Molecular Weight432.43 g/mol
Exact Mass432.22
IUPAC Name—
SMILESCC(NCCNc1c(C(C)C)cccc1C(C)C)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C21H31N2.C5H5.Fe/c1-15(2)19-11-8-12-20(16(3)4)21(19)23-14-13-22-17(5)18-9-6-7-10-18;1-2-4-5-3-1;/h6-12,15-17,22-23H,13-14H2,1-5H3;1-5H;/q;;+2
InChIKeyQOSMCCDWVNPDHD-UHFFFAOYSA-N
XLogP5.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.43
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2,6-di(propan-2-yl)anilino]ethoxy]ethyl]-2,6-di(propan-2-yl)aniline
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3-[2,6-di(propan-2-yl)anilino]propanenitrile
CID 82041201
N-pent-3-enyl-2,6-di(propan-2-yl)aniline
CID 175052075
N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline
CID 175069379
N-(1,3,4-oxadiazol-2-ylmethyl)-2,6-di(propan-2-yl)aniline
CID 23462311
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
N-ethyl-2,6-di(propan-2-yl)aniline;trichlorocobalt
CID 175492359
1-N-[2-[2,6-di(propan-2-yl)anilino]propyl]-2-N-[2,6-di(propan-2-yl)phenyl]-1-N-methylpropane-1,2-diamine
CID 18441404
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;technetium;dichloride
CID 18441374
N-[2-[3-[2-[2-[2,6-di(propan-2-yl)anilino]ethylamino]-4-methylphenoxy]propoxy]-5-methylphenyl]-N'-[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine
CID 122646862
N'-[2-[2,6-di(propan-2-yl)anilino]ethyl]-N-[2,6-di(propan-2-yl)phenyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;silver;dichloride
CID 18441373
N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
CID 54807002

Frequently Asked Questions

What is the IUPAC name of CID 11850391?
The IUPAC name of CID 11850391 (CID 11850391) is not available.
What is the SMILES notation for CID 11850391?
The canonical SMILES for CID 11850391 is CC(NCCNc1c(C(C)C)cccc1C(C)C)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11850391?
The InChIKey is QOSMCCDWVNPDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N2.C5H5.Fe/c1-15(2)19-11-8-12-20(16(3)4)21(19)23-14-13-22-17(5)18-9-6-7-10-18;1-2-4-5-3-1;/h6-12,15-17,22-23H,13-14H2,1-5H3;1-5H;/q;;+2.
What are the key properties of CID 11850391?
CID 11850391 has a molecular weight of 432.43 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11850391 is sourced from PubChem (CID 11850391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).