(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)

C40H53FeNP2 — CID 162295201

IUPAC(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)
SMILESC1CCCC1.C[C@H](C1CCC(P(c2ccccc2)c2ccccc2)C1P(c1ccccc1)c1ccccc1)N(C)C.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C33H37NP2.C5H10.2CH3.Fe/c1-26(34(2)3)31-24-25-32(35(27-16-8-4-9-17-27)28-18-10-5-11-19-28)33(31)36(29-20-12-6-13-21-29)30-22-14-7-15-23-30;1-2-4-5-3-1;;;/h4-23,26,31-33H,24-25H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t26-,31?,32?,33?;;;;/m1..../s1
InChIKeyLGGIOWADLLAXCN-PNODVVINSA-N
MW665.66 g/mol
LogP9.20
Rot. Bonds8

About (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)

(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+) (PubChem CID 162295201) has the molecular formula C40H53FeNP2 and a molecular weight of 665.66 g/mol. Its IUPAC name is (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+).

Molecular Properties

Compound Name(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)
PubChem CID162295201
Molecular FormulaC40H53FeNP2
Molecular Weight665.66 g/mol
Exact Mass665.30
IUPAC Name(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)
SMILESC1CCCC1.C[C@H](C1CCC(P(c2ccccc2)c2ccccc2)C1P(c1ccccc1)c1ccccc1)N(C)C.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C33H37NP2.C5H10.2CH3.Fe/c1-26(34(2)3)31-24-25-32(35(27-16-8-4-9-17-27)28-18-10-5-11-19-28)33(31)36(29-20-12-6-13-21-29)30-22-14-7-15-23-30;1-2-4-5-3-1;;;/h4-23,26,31-33H,24-25H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t26-,31?,32?,33?;;;;/m1..../s1
InChIKeyLGGIOWADLLAXCN-PNODVVINSA-N
XLogP9.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.66
LogP ≤ 59.20
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 (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+) with MolForge

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Related Compounds

carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
CID 155882684
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546
(1S)-1-(2-diphenylphosphanyl-3-methylcyclohexyl)-N,N-dimethylethanamine
CID 59690756
carbanide;bis(cyclopentane);bis((1R)-1-[2-[cyclopentyl(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine);tris(iron(2+))
CID 162295221
(1R)-1-[2-[chloro(phenyl)phosphanyl]cyclopentyl]-N,N-dimethylethanamine
CID 58470969
carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)
CID 137319737
cyclopentane;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane
CID 162272143
cyclopentane;[2-[(1R)-1-(dimethylamino)ethyl]cyclopentyl]-dimethyl-phenylphosphanium
CID 90743045
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
CID 90131117
cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117061916

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)?
The IUPAC name of (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+) (CID 162295201) is (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+).
What is the SMILES notation for (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)?
The canonical SMILES for (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+) is C1CCCC1.C[C@H](C1CCC(P(c2ccccc2)c2ccccc2)C1P(c1ccccc1)c1ccccc1)N(C)C.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)?
The InChIKey is LGGIOWADLLAXCN-PNODVVINSA-N. The full InChI is InChI=1S/C33H37NP2.C5H10.2CH3.Fe/c1-26(34(2)3)31-24-25-32(35(27-16-8-4-9-17-27)28-18-10-5-11-19-28)33(31)36(29-20-12-6-13-21-29)30-22-14-7-15-23-30;1-2-4-5-3-1;;;/h4-23,26,31-33H,24-25H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t26-,31?,32?,33?;;;;/m1..../s1.
What are the key properties of (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+)?
(1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+) has a molecular weight of 665.66 g/mol, XLogP of 9.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2,3-bis(diphenylphosphanyl)cyclopentyl]-N,N-dimethylethanamine;carbanide;cyclopentane;iron(2+) is sourced from PubChem (CID 162295201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).