cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium

C12H24N2Ru — CID 174619205

IUPACcycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium
SMILESC1=CCCC=CCC1.CC(C)(N)CN.[Ru]
InChIInChI=1S/C8H12.C4H12N2.Ru/c1-2-4-6-8-7-5-3-1;1-4(2,6)3-5;/h1-2,7-8H,3-6H2;3,5-6H2,1-2H3;
InChIKeyYKFZSQGGGBAADE-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.35
Rot. Bonds1

About cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium

cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium (PubChem CID 174619205) has the molecular formula C12H24N2Ru and a molecular weight of 297.41 g/mol. Its IUPAC name is cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium.

Molecular Properties

Compound Namecycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium
PubChem CID174619205
Molecular FormulaC12H24N2Ru
Molecular Weight297.41 g/mol
Exact Mass298.10
IUPAC Namecycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium
SMILESC1=CCCC=CCC1.CC(C)(N)CN.[Ru]
InChIInChI=1S/C8H12.C4H12N2.Ru/c1-2-4-6-8-7-5-3-1;1-4(2,6)3-5;/h1-2,7-8H,3-6H2;3,5-6H2,1-2H3;
InChIKeyYKFZSQGGGBAADE-UHFFFAOYSA-N
XLogP2.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium?
The IUPAC name of cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium (CID 174619205) is cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium.
What is the SMILES notation for cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium?
The canonical SMILES for cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium is C1=CCCC=CCC1.CC(C)(N)CN.[Ru].
What is the InChIKey of cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium?
The InChIKey is YKFZSQGGGBAADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C4H12N2.Ru/c1-2-4-6-8-7-5-3-1;1-4(2,6)3-5;/h1-2,7-8H,3-6H2;3,5-6H2,1-2H3;.
What are the key properties of cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium?
cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium has a molecular weight of 297.41 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;2-methylpropane-1,2-diamine;ruthenium is sourced from PubChem (CID 174619205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).