carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate

C5H18Cr2N2O2 — CID 173480785

IUPACcarbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate
SMILESO.O.[CH2-]NCN[CH2-].[CH3-].[CH3-].[Cr+2].[Cr+2]
InChIInChI=1S/C3H8N2.2CH3.2Cr.2H2O/c1-4-3-5-2;;;;;;/h4-5H,1-3H2;2*1H3;;;2*1H2/q-2;2*-1;2*+2;;
InChIKeyOVDXSUFQSDMCTB-UHFFFAOYSA-N
MW242.20 g/mol
LogP-1.05
Rot. Bonds2

About carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate

carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate (PubChem CID 173480785) has the molecular formula C5H18Cr2N2O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate.

Molecular Properties

Compound Namecarbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate
PubChem CID173480785
Molecular FormulaC5H18Cr2N2O2
Molecular Weight242.20 g/mol
Exact Mass242.02
IUPAC Namecarbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate
SMILESO.O.[CH2-]NCN[CH2-].[CH3-].[CH3-].[Cr+2].[Cr+2]
InChIInChI=1S/C3H8N2.2CH3.2Cr.2H2O/c1-4-3-5-2;;;;;;/h4-5H,1-3H2;2*1H3;;;2*1H2/q-2;2*-1;2*+2;;
InChIKeyOVDXSUFQSDMCTB-UHFFFAOYSA-N
XLogP-1.05
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate?
The IUPAC name of carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate (CID 173480785) is carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate.
What is the SMILES notation for carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate?
The canonical SMILES for carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate is O.O.[CH2-]NCN[CH2-].[CH3-].[CH3-].[Cr+2].[Cr+2].
What is the InChIKey of carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate?
The InChIKey is OVDXSUFQSDMCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.2CH3.2Cr.2H2O/c1-4-3-5-2;;;;;;/h4-5H,1-3H2;2*1H3;;;2*1H2/q-2;2*-1;2*+2;;.
What are the key properties of carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate?
carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate has a molecular weight of 242.20 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(chromium(2+));N,N'-dimethanidylmethanediamine;dihydrate is sourced from PubChem (CID 173480785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).