1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron

C24H24FeNP-6 — CID 174218525

IUPAC1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron
SMILESCC(N)([c-]1cccc1)P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H19NP.C5H5.Fe/c1-19(20,16-10-8-9-11-16)21(17-12-4-2-5-13-17)18-14-6-3-7-15-18;1-2-4-5-3-1;/h2-15H,20H2,1H3;1-5H;/q-1;-5;
InChIKeyJJWYACHVHQLUJG-UHFFFAOYSA-N
MW413.28 g/mol
LogP5.07
Rot. Bonds4

About 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron

1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron (PubChem CID 174218525) has the molecular formula C24H24FeNP-6 and a molecular weight of 413.28 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron
PubChem CID174218525
Molecular FormulaC24H24FeNP-6
Molecular Weight413.28 g/mol
Exact Mass413.10
IUPAC Name1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron
SMILESCC(N)([c-]1cccc1)P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H19NP.C5H5.Fe/c1-19(20,16-10-8-9-11-16)21(17-12-4-2-5-13-17)18-14-6-3-7-15-18;1-2-4-5-3-1;/h2-15H,20H2,1H3;1-5H;/q-1;-5;
InChIKeyJJWYACHVHQLUJG-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.28
LogP ≤ 55.07
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'}

Analyze 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron (CID 174218525) is 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron is CC(N)([c-]1cccc1)P(c1ccccc1)c1ccccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron?
The InChIKey is JJWYACHVHQLUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NP.C5H5.Fe/c1-19(20,16-10-8-9-11-16)21(17-12-4-2-5-13-17)18-14-6-3-7-15-18;1-2-4-5-3-1;/h2-15H,20H2,1H3;1-5H;/q-1;-5;.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron?
1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron has a molecular weight of 413.28 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-1-diphenylphosphanylethanamine;cyclopentane;iron is sourced from PubChem (CID 174218525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).