bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride

C15H28Cl2N2Ru — CID 139141366

IUPACbicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride
SMILESC1=CC2C=CC1C2.CCNCCN(CC)CC.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C8H20N2.C7H8.2ClH.Ru/c1-4-9-7-8-10(5-2)6-3;1-2-7-4-3-6(1)5-7;;;/h9H,4-8H2,1-3H3;1-4,6-7H,5H2;2*1H;/q;;;;+2/p-2
InChIKeyQBTOQOJGVGPZCK-UHFFFAOYSA-L
MW408.38 g/mol
LogP-3.31
Rot. Bonds6

About bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride

bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride (PubChem CID 139141366) has the molecular formula C15H28Cl2N2Ru and a molecular weight of 408.38 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride
PubChem CID139141366
Molecular FormulaC15H28Cl2N2Ru
Molecular Weight408.38 g/mol
Exact Mass408.07
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride
SMILESC1=CC2C=CC1C2.CCNCCN(CC)CC.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C8H20N2.C7H8.2ClH.Ru/c1-4-9-7-8-10(5-2)6-3;1-2-7-4-3-6(1)5-7;;;/h9H,4-8H2,1-3H3;1-4,6-7H,5H2;2*1H;/q;;;;+2/p-2
InChIKeyQBTOQOJGVGPZCK-UHFFFAOYSA-L
XLogP-3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 5-3.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride with MolForge

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Related Compounds

propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N,N'-diethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 18965073
N,N'-diethyl-N'-hexadecylethane-1,2-diamine
CID 154098014
N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
CID 91574752
N'-[(3-bromo-2,6-difluorophenyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 114165785
N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine
CID 62555037
N',N'-diethyl-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 114540396
N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine
CID 70821539
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 175812978
N'-[(3,3-difluorocyclohexyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 114224166
N'-(cyclopropylmethyl)-N,N'-diethylbutane-1,4-diamine
CID 63939122
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554542

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride (CID 139141366) is bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride is C1=CC2C=CC1C2.CCNCCN(CC)CC.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride?
The InChIKey is QBTOQOJGVGPZCK-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H20N2.C7H8.2ClH.Ru/c1-4-9-7-8-10(5-2)6-3;1-2-7-4-3-6(1)5-7;;;/h9H,4-8H2,1-3H3;1-4,6-7H,5H2;2*1H;/q;;;;+2/p-2.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride?
bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride has a molecular weight of 408.38 g/mol, XLogP of -3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-2,5-diene;ruthenium(2+);N,N',N'-triethylethane-1,2-diamine;dichloride is sourced from PubChem (CID 139141366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).