bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+))

C25H53BrFe2N2O2 — CID 162267814

IUPACbromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+))
SMILESBrC1CCCC1.NC1CCCC1.NC1CCCC1.O=C(O)C1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2]
InChIInChI=1S/C6H10O2.C5H9Br.2C5H11N.4CH3.2Fe/c7-6(8)5-3-1-2-4-5;3*6-5-3-1-2-4-5;;;;;;/h5H,1-4H2,(H,7,8);5H,1-4H2;2*5H,1-4,6H2;4*1H3;;/q;;;;4*-1;2*+2
InChIKeyBVRCUXVVINZDGU-UHFFFAOYSA-N
MW605.31 g/mol
LogP7.16
Rot. Bonds1

About bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+))

bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+)) (PubChem CID 162267814) has the molecular formula C25H53BrFe2N2O2 and a molecular weight of 605.31 g/mol. Its IUPAC name is bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+)).

Molecular Properties

Compound Namebromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+))
PubChem CID162267814
Molecular FormulaC25H53BrFe2N2O2
Molecular Weight605.31 g/mol
Exact Mass604.20
IUPAC Namebromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+))
SMILESBrC1CCCC1.NC1CCCC1.NC1CCCC1.O=C(O)C1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2]
InChIInChI=1S/C6H10O2.C5H9Br.2C5H11N.4CH3.2Fe/c7-6(8)5-3-1-2-4-5;3*6-5-3-1-2-4-5;;;;;;/h5H,1-4H2,(H,7,8);5H,1-4H2;2*5H,1-4,6H2;4*1H3;;/q;;;;4*-1;2*+2
InChIKeyBVRCUXVVINZDGU-UHFFFAOYSA-N
XLogP7.16
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.31
LogP ≤ 57.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cyclopentanecarboxylic acid
CID 18840
3-aminocyclododecane-1-carboxylic acid
CID 71162813
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
CID 53471629
CID 53471629
trans-(1R,3R)-3-bromocyclohexane-1-carboxylic acid
CID 131191694
(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005

Frequently Asked Questions

What is the IUPAC name of bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+))?
The IUPAC name of bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+)) (CID 162267814) is bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+)).
What is the SMILES notation for bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+))?
The canonical SMILES for bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+)) is BrC1CCCC1.NC1CCCC1.NC1CCCC1.O=C(O)C1CCCC1.[CH3-].[CH3-].[CH3-].[CH3-].[Fe+2].[Fe+2].
What is the InChIKey of bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+))?
The InChIKey is BVRCUXVVINZDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C5H9Br.2C5H11N.4CH3.2Fe/c7-6(8)5-3-1-2-4-5;3*6-5-3-1-2-4-5;;;;;;/h5H,1-4H2,(H,7,8);5H,1-4H2;2*5H,1-4,6H2;4*1H3;;/q;;;;4*-1;2*+2.
What are the key properties of bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+))?
bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+)) has a molecular weight of 605.31 g/mol, XLogP of 7.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromocyclopentane;carbanide;bis(cyclopentanamine);cyclopentanecarboxylic acid;bis(iron(2+)) is sourced from PubChem (CID 162267814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).