cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron

C22H43FeN2P — CID 162292453

IUPACcyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron
SMILESC1CCCC1.CC[C@H]1CCCN1P(C1CCCC1)N1CCC[C@@H]1CC.[Fe]
InChIInChI=1S/C17H33N2P.C5H10.Fe/c1-3-15-9-7-13-18(15)20(17-11-5-6-12-17)19-14-8-10-16(19)4-2;1-2-4-5-3-1;/h15-17H,3-14H2,1-2H3;1-5H2;/t15-,16-;;/m0../s1
InChIKeyGEDKPPFADXZWAJ-SXBSVMRRSA-N
MW422.42 g/mol
LogP6.94
Rot. Bonds5

About cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron

cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron (PubChem CID 162292453) has the molecular formula C22H43FeN2P and a molecular weight of 422.42 g/mol. Its IUPAC name is cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron.

Molecular Properties

Compound Namecyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron
PubChem CID162292453
Molecular FormulaC22H43FeN2P
Molecular Weight422.42 g/mol
Exact Mass422.25
IUPAC Namecyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron
SMILESC1CCCC1.CC[C@H]1CCCN1P(C1CCCC1)N1CCC[C@@H]1CC.[Fe]
InChIInChI=1S/C17H33N2P.C5H10.Fe/c1-3-15-9-7-13-18(15)20(17-11-5-6-12-17)19-14-8-10-16(19)4-2;1-2-4-5-3-1;/h15-17H,3-14H2,1-2H3;1-5H2;/t15-,16-;;/m0../s1
InChIKeyGEDKPPFADXZWAJ-SXBSVMRRSA-N
XLogP6.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane
CID 543461
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
1,2-diethylpiperidine
CID 19604037
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
2-ethyl-1-azabicyclo[7.3.1]tridecane
CID 130354528
2,7-diethyl-1-methylazepane
CID 146499185
2-ethyl-1-undecylpyrrolidine
CID 171569857
2-ethyl-1-iodopyrrolidine
CID 88932324
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579

Frequently Asked Questions

What is the IUPAC name of cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron?
The IUPAC name of cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron (CID 162292453) is cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron.
What is the SMILES notation for cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron?
The canonical SMILES for cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron is C1CCCC1.CC[C@H]1CCCN1P(C1CCCC1)N1CCC[C@@H]1CC.[Fe].
What is the InChIKey of cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron?
The InChIKey is GEDKPPFADXZWAJ-SXBSVMRRSA-N. The full InChI is InChI=1S/C17H33N2P.C5H10.Fe/c1-3-15-9-7-13-18(15)20(17-11-5-6-12-17)19-14-8-10-16(19)4-2;1-2-4-5-3-1;/h15-17H,3-14H2,1-2H3;1-5H2;/t15-,16-;;/m0../s1.
What are the key properties of cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron?
cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron has a molecular weight of 422.42 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;cyclopentyl-bis[(2S)-2-ethylpyrrolidin-1-yl]phosphane;iron is sourced from PubChem (CID 162292453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).