cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron

C26H28FeNP-6 — CID 87948416

IUPACcyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron
SMILESCCN[C@H](C)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C21H23NP.C5H5.Fe/c1-3-22-17(2)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-2-4-5-3-1;/h4-17,22H,3H2,1-2H3;1-5H;/q-1;-5;/t17-;;/m1../s1
InChIKeyWEUIFQLGWWBFIG-ZEECNFPPSA-N
MW441.34 g/mol
LogP5.24
Rot. Bonds6

About cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron

cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron (PubChem CID 87948416) has the molecular formula C26H28FeNP-6 and a molecular weight of 441.34 g/mol. Its IUPAC name is cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron.

Molecular Properties

Compound Namecyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron
PubChem CID87948416
Molecular FormulaC26H28FeNP-6
Molecular Weight441.34 g/mol
Exact Mass441.13
IUPAC Namecyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron
SMILESCCN[C@H](C)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C21H23NP.C5H5.Fe/c1-3-22-17(2)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-2-4-5-3-1;/h4-17,22H,3H2,1-2H3;1-5H;/q-1;-5;/t17-;;/m1../s1
InChIKeyWEUIFQLGWWBFIG-ZEECNFPPSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.34
LogP ≤ 55.24
H-Bond Donors ≤ 51
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;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron?
The IUPAC name of cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron (CID 87948416) is cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron.
What is the SMILES notation for cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron?
The canonical SMILES for cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron is CCN[C@H](C)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron?
The InChIKey is WEUIFQLGWWBFIG-ZEECNFPPSA-N. The full InChI is InChI=1S/C21H23NP.C5H5.Fe/c1-3-22-17(2)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-2-4-5-3-1;/h4-17,22H,3H2,1-2H3;1-5H;/q-1;-5;/t17-;;/m1../s1.
What are the key properties of cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron?
cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron has a molecular weight of 441.34 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron is sourced from PubChem (CID 87948416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).