carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)

C28H44FeNP — CID 155882684

IUPACcarbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
SMILESC1CCCC1.C[C@@H](C1CCCC1P(c1ccccc1)c1ccccc1)N(C)C.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C21H28NP.C5H10.2CH3.Fe/c1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-2-4-5-3-1;;;/h4-9,11-14,17,20-21H,10,15-16H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t17-,20?,21?;;;;/m0..../s1
InChIKeyOXTYGVHUXCTMHU-CWPKOHFWSA-N
MW481.49 g/mol
LogP7.09
Rot. Bonds5

About carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)

carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+) (PubChem CID 155882684) has the molecular formula C28H44FeNP and a molecular weight of 481.49 g/mol. Its IUPAC name is carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+).

Molecular Properties

Compound Namecarbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
PubChem CID155882684
Molecular FormulaC28H44FeNP
Molecular Weight481.49 g/mol
Exact Mass481.26
IUPAC Namecarbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)
SMILESC1CCCC1.C[C@@H](C1CCCC1P(c1ccccc1)c1ccccc1)N(C)C.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C21H28NP.C5H10.2CH3.Fe/c1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-2-4-5-3-1;;;/h4-9,11-14,17,20-21H,10,15-16H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t17-,20?,21?;;;;/m0..../s1
InChIKeyOXTYGVHUXCTMHU-CWPKOHFWSA-N
XLogP7.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.49
LogP ≤ 57.09
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'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)?
The IUPAC name of carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+) (CID 155882684) is carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+).
What is the SMILES notation for carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)?
The canonical SMILES for carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+) is C1CCCC1.C[C@@H](C1CCCC1P(c1ccccc1)c1ccccc1)N(C)C.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)?
The InChIKey is OXTYGVHUXCTMHU-CWPKOHFWSA-N. The full InChI is InChI=1S/C21H28NP.C5H10.2CH3.Fe/c1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-2-4-5-3-1;;;/h4-9,11-14,17,20-21H,10,15-16H2,1-3H3;1-5H2;2*1H3;/q;;2*-1;+2/t17-,20?,21?;;;;/m0..../s1.
What are the key properties of carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+)?
carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+) has a molecular weight of 481.49 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;(1S)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron(2+) is sourced from PubChem (CID 155882684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).