cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron

C24H24FeNP-6 — CID 87353736

IUPACcyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron
SMILESCN(C)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H19NP.C5H5.Fe/c1-20(2)18-14-9-15-19(18)21(16-10-5-3-6-11-16)17-12-7-4-8-13-17;1-2-4-5-3-1;/h3-15H,1-2H3;1-5H;/q-1;-5;
InChIKeyHAOZMJFCICOHIV-UHFFFAOYSA-N
MW413.28 g/mol
LogP4.63
Rot. Bonds4

About cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron

cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron (PubChem CID 87353736) has the molecular formula C24H24FeNP-6 and a molecular weight of 413.28 g/mol. Its IUPAC name is cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron.

Molecular Properties

Compound Namecyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron
PubChem CID87353736
Molecular FormulaC24H24FeNP-6
Molecular Weight413.28 g/mol
Exact Mass413.10
IUPAC Namecyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron
SMILESCN(C)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H19NP.C5H5.Fe/c1-20(2)18-14-9-15-19(18)21(16-10-5-3-6-11-16)17-12-7-4-8-13-17;1-2-4-5-3-1;/h3-15H,1-2H3;1-5H;/q-1;-5;
InChIKeyHAOZMJFCICOHIV-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.63
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'}

Analyze cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentane;(5-ethylcyclopenta-1,3-dien-1-yl)-diphenylphosphane;iron
CID 88769962
cyclopentane;N,N-dimethyl-2-phenylcyclopenta-2,4-dien-1-amine;iron
CID 87353614
cyclopentane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-ethylethanamine;iron
CID 87948416
cyclopentane;(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1R)-1-phenylethyl]ethanamine;iron
CID 87708660
(1R)-N-benzyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine;cyclopentane;iron
CID 87708507
cyclopentane;N-[(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]-2,2-dimethylpropan-1-amine;iron
CID 87708681
cyclopentane;dicyclohexyl-[1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethyl]phosphane;iron
CID 87113937
cyclopenta-1,3-diene;(1S)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron(2+)
CID 131726978
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron(2+)
CID 71311283
1-(2-bromo-5-diphenylphosphanyl-3-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;cyclopentane;iron
CID 87634571
ethane;triphenylphosphane
CID 90942156

Frequently Asked Questions

What is the IUPAC name of cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron?
The IUPAC name of cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron (CID 87353736) is cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron.
What is the SMILES notation for cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron?
The canonical SMILES for cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron is CN(C)[c-]1cccc1P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron?
The InChIKey is HAOZMJFCICOHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NP.C5H5.Fe/c1-20(2)18-14-9-15-19(18)21(16-10-5-3-6-11-16)17-12-7-4-8-13-17;1-2-4-5-3-1;/h3-15H,1-2H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron?
cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron has a molecular weight of 413.28 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;2-diphenylphosphanyl-N,N-dimethylcyclopenta-2,4-dien-1-amine;iron is sourced from PubChem (CID 87353736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).