cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron

C29H34FeNP-6 — CID 87708681

IUPACcyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron
SMILESC[C@@H](NCC(C)(C)C)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C24H29NP.C5H5.Fe/c1-19(25-18-24(2,3)4)22-16-11-17-23(22)26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;1-2-4-5-3-1;/h5-17,19,25H,18H2,1-4H3;1-5H;/q-1;-5;/t19-;;/m1../s1
InChIKeyCWUYWHRPHHIHPB-JQDLGSOUSA-N
MW483.42 g/mol
LogP6.26
Rot. Bonds6

About cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron

cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron (PubChem CID 87708681) has the molecular formula C29H34FeNP-6 and a molecular weight of 483.42 g/mol. Its IUPAC name is cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron.

Molecular Properties

Compound Namecyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron
PubChem CID87708681
Molecular FormulaC29H34FeNP-6
Molecular Weight483.42 g/mol
Exact Mass483.18
IUPAC Namecyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron
SMILESC[C@@H](NCC(C)(C)C)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C24H29NP.C5H5.Fe/c1-19(25-18-24(2,3)4)22-16-11-17-23(22)26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;1-2-4-5-3-1;/h5-17,19,25H,18H2,1-4H3;1-5H;/q-1;-5;/t19-;;/m1../s1
InChIKeyCWUYWHRPHHIHPB-JQDLGSOUSA-N
XLogP6.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.42
LogP ≤ 56.26
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;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron?
The IUPAC name of cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron (CID 87708681) is cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron.
What is the SMILES notation for cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron?
The canonical SMILES for cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron is C[C@@H](NCC(C)(C)C)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron?
The InChIKey is CWUYWHRPHHIHPB-JQDLGSOUSA-N. The full InChI is InChI=1S/C24H29NP.C5H5.Fe/c1-19(25-18-24(2,3)4)22-16-11-17-23(22)26(20-12-7-5-8-13-20)21-14-9-6-10-15-21;1-2-4-5-3-1;/h5-17,19,25H,18H2,1-4H3;1-5H;/q-1;-5;/t19-;;/m1../s1.
What are the key properties of cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron?
cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron has a molecular weight of 483.42 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron is sourced from PubChem (CID 87708681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).