cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron

C27H30FeNP-6 — CID 87632818

IUPACcyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron
SMILESCc1cc[c-](C(C)N(C)C)c1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C22H25NP.C5H5.Fe/c1-17-15-16-21(18(2)23(3)4)22(17)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-2-4-5-3-1;/h5-16,18H,1-4H3;1-5H;/q-1;-5;
InChIKeyUOSXFOCZMFPIKV-UHFFFAOYSA-N
MW455.36 g/mol
LogP5.50
Rot. Bonds5

About cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron

cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron (PubChem CID 87632818) has the molecular formula C27H30FeNP-6 and a molecular weight of 455.36 g/mol. Its IUPAC name is cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron.

Molecular Properties

Compound Namecyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron
PubChem CID87632818
Molecular FormulaC27H30FeNP-6
Molecular Weight455.36 g/mol
Exact Mass455.15
IUPAC Namecyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron
SMILESCc1cc[c-](C(C)N(C)C)c1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C22H25NP.C5H5.Fe/c1-17-15-16-21(18(2)23(3)4)22(17)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-2-4-5-3-1;/h5-16,18H,1-4H3;1-5H;/q-1;-5;
InChIKeyUOSXFOCZMFPIKV-UHFFFAOYSA-N
XLogP5.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.36
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron?
The IUPAC name of cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron (CID 87632818) is cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron.
What is the SMILES notation for cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron?
The canonical SMILES for cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron is Cc1cc[c-](C(C)N(C)C)c1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron?
The InChIKey is UOSXFOCZMFPIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NP.C5H5.Fe/c1-17-15-16-21(18(2)23(3)4)22(17)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20;1-2-4-5-3-1;/h5-16,18H,1-4H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron?
cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron has a molecular weight of 455.36 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1-(2-diphenylphosphanyl-3-methylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron is sourced from PubChem (CID 87632818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).